2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide

C16H14ClN3O — CID 100787163

IUPAC2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc(Cl)[nH]c2c1)c1ccccc1
InChIInChI=1S/C16H14ClN3O/c1-10(11-5-3-2-4-6-11)18-15(21)12-7-8-13-14(9-12)20-16(17)19-13/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m1/s1
InChIKeyPGXSJMDGUZFNOK-SNVBAGLBSA-N
MW299.76 g/mol
LogP3.71
Rot. Bonds3

About 2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide

2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 100787163) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
PubChem CID100787163
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc(Cl)[nH]c2c1)c1ccccc1
InChIInChI=1S/C16H14ClN3O/c1-10(11-5-3-2-4-6-11)18-15(21)12-7-8-13-14(9-12)20-16(17)19-13/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m1/s1
InChIKeyPGXSJMDGUZFNOK-SNVBAGLBSA-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

2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide
CID 100787032
2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 100787147
2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561316
4-(1H-benzimidazol-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 100577391
2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide
CID 133167282
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 110765208
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide
CID 59655320
N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
CID 4571608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide (CID 100787163) is 2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide is C[C@@H](NC(=O)c1ccc2nc(Cl)[nH]c2c1)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PGXSJMDGUZFNOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10(11-5-3-2-4-6-11)18-15(21)12-7-8-13-14(9-12)20-16(17)19-13/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide?
2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide 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 2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100787163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).