N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide

C16H14ClN3O — CID 920428

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H14ClN3O/c1-10(15-19-13-4-2-3-5-14(13)20-15)18-16(21)11-6-8-12(17)9-7-11/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyOYQIBSICTDXPLI-JTQLQIEISA-N
MW299.76 g/mol
LogP3.71
Rot. Bonds3

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide (PubChem CID 920428) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
PubChem CID920428
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H14ClN3O/c1-10(15-19-13-4-2-3-5-14(13)20-15)18-16(21)11-6-8-12(17)9-7-11/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyOYQIBSICTDXPLI-JTQLQIEISA-N
XLogP3.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
CID 78806018
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 55380856
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74232246
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 60674523
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide (CID 920428) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide is C[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide?
The InChIKey is OYQIBSICTDXPLI-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10(15-19-13-4-2-3-5-14(13)20-15)18-16(21)11-6-8-12(17)9-7-11/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide has a molecular weight of 299.76 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 920428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).