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

C24H22ClN3O — CID 16975895

IUPACN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C24H22ClN3O/c1-17-8-2-4-10-19(17)24(29)26-15-14-23-27-21-12-6-7-13-22(21)28(23)16-18-9-3-5-11-20(18)25/h2-13H,14-16H2,1H3,(H,26,29)
InChIKeySFXFWWYHKYGTHW-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.02
Rot. Bonds6

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

N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (PubChem CID 16975895) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
PubChem CID16975895
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC NameN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C24H22ClN3O/c1-17-8-2-4-10-19(17)24(29)26-15-14-23-27-21-12-6-7-13-22(21)28(23)16-18-9-3-5-11-20(18)25/h2-13H,14-16H2,1H3,(H,26,29)
InChIKeySFXFWWYHKYGTHW-UHFFFAOYSA-N
XLogP5.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3160753
N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975902
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979272
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964259
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983003
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982377
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (CID 16975895) is N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The InChIKey is SFXFWWYHKYGTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-17-8-2-4-10-19(17)24(29)26-15-14-23-27-21-12-6-7-13-22(21)28(23)16-18-9-3-5-11-20(18)25/h2-13H,14-16H2,1H3,(H,26,29).
What are the key properties of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide has a molecular weight of 403.91 g/mol, XLogP of 5.02, 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]-2-methylbenzamide is sourced from PubChem (CID 16975895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).