N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide

C17H16ClN3O2 — CID 112787812

IUPACN-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
SMILESCC(O)c1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O2/c1-11(22)17-20-14-7-2-3-8-15(14)21(17)10-16(23)19-13-6-4-5-12(18)9-13/h2-9,11,22H,10H2,1H3,(H,19,23)
InChIKeyCTWKEHDOMDJAMQ-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.38
Rot. Bonds4

About N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide

N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide (PubChem CID 112787812) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
PubChem CID112787812
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
SMILESCC(O)c1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O2/c1-11(22)17-20-14-7-2-3-8-15(14)21(17)10-16(23)19-13-6-4-5-12(18)9-13/h2-9,11,22H,10H2,1H3,(H,19,23)
InChIKeyCTWKEHDOMDJAMQ-UHFFFAOYSA-N
XLogP3.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 17029694
N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787797
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787844
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
4-chloro-N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029556
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360
2-chloro-N-[1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029838
N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 20894967
N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 5109311
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-(2-phenylphenyl)acetamide
CID 112787842

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide (CID 112787812) is N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide is CC(O)c1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The InChIKey is CTWKEHDOMDJAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11(22)17-20-14-7-2-3-8-15(14)21(17)10-16(23)19-13-6-4-5-12(18)9-13/h2-9,11,22H,10H2,1H3,(H,19,23).
What are the key properties of N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide has a molecular weight of 329.79 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 112787812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).