3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide

C16H15N3O2 — CID 171064601

IUPAC3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide
SMILESCC(O)c1ccc(C(N)=O)cc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H15N3O2/c1-9(20)12-4-2-11(16(17)21)6-13(12)10-3-5-14-15(7-10)19-8-18-14/h2-9,20H,1H3,(H2,17,21)(H,18,19)
InChIKeyASSLUEKAXCYHTK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.38
Rot. Bonds3

About 3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide

3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide (PubChem CID 171064601) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide
PubChem CID171064601
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide
SMILESCC(O)c1ccc(C(N)=O)cc1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H15N3O2/c1-9(20)12-4-2-11(16(17)21)6-13(12)10-3-5-14-15(7-10)19-8-18-14/h2-9,20H,1H3,(H2,17,21)(H,18,19)
InChIKeyASSLUEKAXCYHTK-UHFFFAOYSA-N
XLogP2.38
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3H-benzimidazol-5-yl)-3-fluorobenzamide
CID 175532985
3-(3H-benzimidazol-5-yl)-5-fluoro-4-(1-hydroxyethyl)benzoic acid
CID 171064427
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide
CID 175533008
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
4-amino-1-(3H-benzimidazol-5-yl)-2-methylbutan-1-one
CID 116916037
[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone
CID 90027627
3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole
CID 161258178
4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide
CID 116852016
2-(3H-benzimidazol-5-yl)phenol
CID 162260962
6-(2-methyltetrazol-5-yl)-1H-benzimidazole
CID 91211393

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide (CID 171064601) is 3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide is CC(O)c1ccc(C(N)=O)cc1-c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide?
The InChIKey is ASSLUEKAXCYHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9(20)12-4-2-11(16(17)21)6-13(12)10-3-5-14-15(7-10)19-8-18-14/h2-9,20H,1H3,(H2,17,21)(H,18,19).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide?
3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide has a molecular weight of 281.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide is sourced from PubChem (CID 171064601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).