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

C17H16ClN3O — CID 2992540

IUPACN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESO=CNCCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O/c18-14-6-2-1-5-13(14)11-21-16-8-4-3-7-15(16)20-17(21)9-10-19-12-22/h1-8,12H,9-11H2,(H,19,22)
InChIKeyNXKZSFMTBZRIBK-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.03
Rot. Bonds6

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

N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide (PubChem CID 2992540) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
PubChem CID2992540
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESO=CNCCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O/c18-14-6-2-1-5-13(14)11-21-16-8-4-3-7-15(16)20-17(21)9-10-19-12-22/h1-8,12H,9-11H2,(H,19,22)
InChIKeyNXKZSFMTBZRIBK-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide
CID 4886388
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3160753
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]formamide
CID 2992201
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975895
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964259
N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366614
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The IUPAC name of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide (CID 2992540) is N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The canonical SMILES for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide is O=CNCCc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The InChIKey is NXKZSFMTBZRIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-14-6-2-1-5-13(14)11-21-16-8-4-3-7-15(16)20-17(21)9-10-19-12-22/h1-8,12H,9-11H2,(H,19,22).
What are the key properties of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide has a molecular weight of 313.79 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide is sourced from PubChem (CID 2992540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).