2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide

C17H16ClN3O — CID 110785613

IUPAC2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C17H16ClN3O/c1-11-20-15-7-4-13(8-16(15)21-11)10-19-17(22)9-12-2-5-14(18)6-3-12/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyQXFUVWHSCODQHW-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.38
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide

2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide (PubChem CID 110785613) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
PubChem CID110785613
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C17H16ClN3O/c1-11-20-15-7-4-13(8-16(15)21-11)10-19-17(22)9-12-2-5-14(18)6-3-12/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyQXFUVWHSCODQHW-UHFFFAOYSA-N
XLogP3.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide
CID 90653335
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270
1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 163312396
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 56870014
N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 131929944

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide (CID 110785613) is 2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide is Cc1nc2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
The InChIKey is QXFUVWHSCODQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-20-15-7-4-13(8-16(15)21-11)10-19-17(22)9-12-2-5-14(18)6-3-12/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide has a molecular weight of 313.79 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 110785613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).