1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole

C20H13Cl3N2 — CID 134083955

IUPAC1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
SMILESClc1cccc(Cn2c(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1
InChIInChI=1S/C20H13Cl3N2/c21-14-5-3-4-13(10-14)12-25-19-7-2-1-6-18(19)24-20(25)16-9-8-15(22)11-17(16)23/h1-11H,12H2
InChIKeyJTXVJJPDUHWVFV-UHFFFAOYSA-N
MW387.70 g/mol
LogP6.71
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole

1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole (PubChem CID 134083955) has the molecular formula C20H13Cl3N2 and a molecular weight of 387.70 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
PubChem CID134083955
Molecular FormulaC20H13Cl3N2
Molecular Weight387.70 g/mol
Exact Mass386.01
IUPAC Name1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
SMILESClc1cccc(Cn2c(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1
InChIInChI=1S/C20H13Cl3N2/c21-14-5-3-4-13(10-14)12-25-19-7-2-1-6-18(19)24-20(25)16-9-8-15(22)11-17(16)23/h1-11H,12H2
InChIKeyJTXVJJPDUHWVFV-UHFFFAOYSA-N
XLogP6.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.70
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole (CID 134083955) is 1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole is Clc1cccc(Cn2c(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole?
The InChIKey is JTXVJJPDUHWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N2/c21-14-5-3-4-13(10-14)12-25-19-7-2-1-6-18(19)24-20(25)16-9-8-15(22)11-17(16)23/h1-11H,12H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole?
1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole has a molecular weight of 387.70 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole is sourced from PubChem (CID 134083955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).