OH1

N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide

Created: 2019-06-24
Last modified:  2019-12-11

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count40
Aromatic Bond Count11
2D diagram of OH1

Chemical Component Summary

NameN-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide
Systematic Name (OpenEye OEToolkits)~{N}-[4-[4-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]benzamide
FormulaC15 H19 N3 O2
Molecular Weight273.33
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(NC(c1ccccc1)=O)CCCc2ncc(CO)n2
SMILESCACTVS3.385OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO
Canonical SMILESCACTVS3.385 OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO
InChIInChI1.03 InChI=1S/C15H19N3O2/c19-11-13-10-17-14(18-13)8-4-5-9-16-15(20)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,20)(H,17,18)
InChIKeyInChI1.03 JCUWYBMNDMMIAC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 145704657