N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide

C17H16ClN3O — CID 914315

IUPACN-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O/c1-2-16(22)20-17-19-14-9-5-6-10-15(14)21(17)11-12-7-3-4-8-13(12)18/h3-10H,2,11H2,1H3,(H,19,20,22)
InChIKeyGKHGYBSFLVZHND-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.09
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide

N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide (PubChem CID 914315) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide
PubChem CID914315
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O/c1-2-16(22)20-17-19-14-9-5-6-10-15(14)21(17)11-12-7-3-4-8-13(12)18/h3-10H,2,11H2,1H3,(H,19,20,22)
InChIKeyGKHGYBSFLVZHND-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide (CID 914315) is N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide is CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide?
The InChIKey is GKHGYBSFLVZHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-2-16(22)20-17-19-14-9-5-6-10-15(14)21(17)11-12-7-3-4-8-13(12)18/h3-10H,2,11H2,1H3,(H,19,20,22).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide?
N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide has a molecular weight of 313.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide is sourced from PubChem (CID 914315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).