2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide

C23H21ClN4O — CID 46880144

IUPAC2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CCc1ccccc1
InChIInChI=1S/C23H21ClN4O/c24-19-9-5-4-8-18(19)15-26-23-27-20-14-17(22(25)29)10-11-21(20)28(23)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,25,29)(H,26,27)
InChIKeyBGDLFFRYZTVYMU-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.64
Rot. Bonds7

About 2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide

2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide (PubChem CID 46880144) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide
PubChem CID46880144
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CCc1ccccc1
InChIInChI=1S/C23H21ClN4O/c24-19-9-5-4-8-18(19)15-26-23-27-20-14-17(22(25)29)10-11-21(20)28(23)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,25,29)(H,26,27)
InChIKeyBGDLFFRYZTVYMU-UHFFFAOYSA-N
XLogP4.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide (CID 46880144) is 2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CCc1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide?
The InChIKey is BGDLFFRYZTVYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c24-19-9-5-4-8-18(19)15-26-23-27-20-14-17(22(25)29)10-11-21(20)28(23)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,25,29)(H,26,27).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 46880144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).