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

C25H24ClN3O — CID 5205961

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide
SMILESCCc1ccccc1-n1c(C)nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C25H24ClN3O/c1-3-19-6-4-5-7-23(19)29-17(2)28-22-16-20(10-13-24(22)29)25(30)27-15-14-18-8-11-21(26)12-9-18/h4-13,16H,3,14-15H2,1-2H3,(H,27,30)
InChIKeyGOBYXWYAJVKFJU-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.52
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide (PubChem CID 5205961) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide
PubChem CID5205961
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide
SMILESCCc1ccccc1-n1c(C)nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C25H24ClN3O/c1-3-19-6-4-5-7-23(19)29-17(2)28-22-16-20(10-13-24(22)29)25(30)27-15-14-18-8-11-21(26)12-9-18/h4-13,16H,3,14-15H2,1-2H3,(H,27,30)
InChIKeyGOBYXWYAJVKFJU-UHFFFAOYSA-N
XLogP5.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide (CID 5205961) is N-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide is CCc1ccccc1-n1c(C)nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide?
The InChIKey is GOBYXWYAJVKFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-3-19-6-4-5-7-23(19)29-17(2)28-22-16-20(10-13-24(22)29)25(30)27-15-14-18-8-11-21(26)12-9-18/h4-13,16H,3,14-15H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 5.52, 6 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-(2-ethylphenyl)-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 5205961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).