N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

C24H22ClN3O — CID 1293046

IUPACN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3n2Cc2ccccc2Cl)c1
InChIInChI=1S/C24H22ClN3O/c1-17-7-6-9-18(15-17)24(29)26-14-13-23-27-21-11-4-5-12-22(21)28(23)16-19-8-2-3-10-20(19)25/h2-12,15H,13-14,16H2,1H3,(H,26,29)
InChIKeyRAJCAFFUOKMIGP-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.02
Rot. Bonds6

About N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (PubChem CID 1293046) 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]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
PubChem CID1293046
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC NameN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3n2Cc2ccccc2Cl)c1
InChIInChI=1S/C24H22ClN3O/c1-17-7-6-9-18(15-17)24(29)26-14-13-23-27-21-11-4-5-12-22(21)28(23)16-19-8-2-3-10-20(19)25/h2-12,15H,13-14,16H2,1H3,(H,26,29)
InChIKeyRAJCAFFUOKMIGP-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (CID 1293046) is N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCc2nc3ccccc3n2Cc2ccccc2Cl)c1.
What is the InChIKey of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The InChIKey is RAJCAFFUOKMIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-17-7-6-9-18(15-17)24(29)26-14-13-23-27-21-11-4-5-12-22(21)28(23)16-19-8-2-3-10-20(19)25/h2-12,15H,13-14,16H2,1H3,(H,26,29).
What are the key properties of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-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]-3-methylbenzamide is sourced from PubChem (CID 1293046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).