N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide

C17H16ClN3O — CID 110692599

IUPACN-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H16ClN3O/c1-21-11-20-15-10-13(4-7-16(15)21)17(22)19-9-8-12-2-5-14(18)6-3-12/h2-7,10-11H,8-9H2,1H3,(H,19,22)
InChIKeyQVNFMIHYBXQHTA-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.20
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide (PubChem CID 110692599) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
PubChem CID110692599
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H16ClN3O/c1-21-11-20-15-10-13(4-7-16(15)21)17(22)19-9-8-12-2-5-14(18)6-3-12/h2-7,10-11H,8-9H2,1H3,(H,19,22)
InChIKeyQVNFMIHYBXQHTA-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110791606
N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814
3-acetamido-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110796161
N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide
CID 71711224
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide
CID 46976011
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide (CID 110692599) is N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide?
The InChIKey is QVNFMIHYBXQHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-21-11-20-15-10-13(4-7-16(15)21)17(22)19-9-8-12-2-5-14(18)6-3-12/h2-7,10-11H,8-9H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110692599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).