1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine

C21H16Cl3N3 — CID 3291239

IUPAC1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine
SMILESClc1ccc(Cn2c(NCc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C21H16Cl3N3/c22-16-8-5-14(6-9-16)13-27-20-4-2-1-3-19(20)26-21(27)25-12-15-7-10-17(23)18(24)11-15/h1-11H,12-13H2,(H,25,26)
InChIKeyLAARDYYRBRIZFG-UHFFFAOYSA-N
MW416.74 g/mol
LogP6.66
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine

1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine (PubChem CID 3291239) has the molecular formula C21H16Cl3N3 and a molecular weight of 416.74 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine
PubChem CID3291239
Molecular FormulaC21H16Cl3N3
Molecular Weight416.74 g/mol
Exact Mass415.04
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine
SMILESClc1ccc(Cn2c(NCc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C21H16Cl3N3/c22-16-8-5-14(6-9-16)13-27-20-4-2-1-3-19(20)26-21(27)25-12-15-7-10-17(23)18(24)11-15/h1-11H,12-13H2,(H,25,26)
InChIKeyLAARDYYRBRIZFG-UHFFFAOYSA-N
XLogP6.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.74
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine (CID 3291239) is 1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine is Clc1ccc(Cn2c(NCc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
The InChIKey is LAARDYYRBRIZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3N3/c22-16-8-5-14(6-9-16)13-27-20-4-2-1-3-19(20)26-21(27)25-12-15-7-10-17(23)18(24)11-15/h1-11H,12-13H2,(H,25,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine has a molecular weight of 416.74 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 3291239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).