2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide

C18H19N3O2 — CID 91103427

IUPAC2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide
SMILESCCc1nc2c(C(N)=O)cccc2n1-c1ccc(CCO)cc1
InChIInChI=1S/C18H19N3O2/c1-2-16-20-17-14(18(19)23)4-3-5-15(17)21(16)13-8-6-12(7-9-13)10-11-22/h3-9,22H,2,10-11H2,1H3,(H2,19,23)
InChIKeyKGCFQOZSADRIQZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.22
Rot. Bonds5

About 2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide

2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide (PubChem CID 91103427) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide
PubChem CID91103427
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide
SMILESCCc1nc2c(C(N)=O)cccc2n1-c1ccc(CCO)cc1
InChIInChI=1S/C18H19N3O2/c1-2-16-20-17-14(18(19)23)4-3-5-15(17)21(16)13-8-6-12(7-9-13)10-11-22/h3-9,22H,2,10-11H2,1H3,(H2,19,23)
InChIKeyKGCFQOZSADRIQZ-UHFFFAOYSA-N
XLogP2.22
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis[2-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]phenyl]methanone
CID 174454571
4-[2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-5-yl]pentanoic acid
CID 91036073
1-methoxy-2-methylbenzimidazole-4-carboxamide
CID 150414284
2-[1-(6-amino-3-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol
CID 50969452
1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one
CID 79884679
2-(3-methylphenyl)-1-(3-phenylpropyl)benzimidazole-4-carboxamide
CID 155676718
2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid
CID 115543775
2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-methylbenzimidazole-4-carboxamide
CID 18428197
1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea
CID 158582434
6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one
CID 143854829
2-[1-(6-amino-2-pyridinyl)-4-methylbenzimidazol-2-yl]ethanol
CID 50970553
2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide
CID 10540772

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide?
The IUPAC name of 2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide (CID 91103427) is 2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide?
The canonical SMILES for 2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide is CCc1nc2c(C(N)=O)cccc2n1-c1ccc(CCO)cc1.
What is the InChIKey of 2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide?
The InChIKey is KGCFQOZSADRIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-16-20-17-14(18(19)23)4-3-5-15(17)21(16)13-8-6-12(7-9-13)10-11-22/h3-9,22H,2,10-11H2,1H3,(H2,19,23).
What are the key properties of 2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide?
2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 91103427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).