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

C17H16ClN3O — CID 53237679

IUPACN-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C17H16ClN3O/c1-10(2)17(22)19-13-7-8-14-15(9-13)21-16(20-14)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,22)(H,20,21)
InChIKeyZDJBQPREHKXJJV-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.48
Rot. Bonds3

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

N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide (PubChem CID 53237679) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide
PubChem CID53237679
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C17H16ClN3O/c1-10(2)17(22)19-13-7-8-14-15(9-13)21-16(20-14)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,22)(H,20,21)
InChIKeyZDJBQPREHKXJJV-UHFFFAOYSA-N
XLogP4.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide (CID 53237679) is N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide?
The InChIKey is ZDJBQPREHKXJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-10(2)17(22)19-13-7-8-14-15(9-13)21-16(20-14)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide?
N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide has a molecular weight of 313.79 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 53237679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).