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

C19H12Cl3N3 — CID 4303515

IUPAC2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole
SMILESClc1ccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)cc1Cl
InChIInChI=1S/C19H12Cl3N3/c20-14-8-7-12(10-15(14)21)11-25-17-6-2-1-5-16(17)24-19(25)13-4-3-9-23-18(13)22/h1-10H,11H2
InChIKeyIGKZJXCIMLYSAR-UHFFFAOYSA-N
MW388.69 g/mol
LogP6.11
Rot. Bonds3

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

2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole (PubChem CID 4303515) has the molecular formula C19H12Cl3N3 and a molecular weight of 388.69 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole
PubChem CID4303515
Molecular FormulaC19H12Cl3N3
Molecular Weight388.69 g/mol
Exact Mass387.01
IUPAC Name2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole
SMILESClc1ccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)cc1Cl
InChIInChI=1S/C19H12Cl3N3/c20-14-8-7-12(10-15(14)21)11-25-17-6-2-1-5-16(17)24-19(25)13-4-3-9-23-18(13)22/h1-10H,11H2
InChIKeyIGKZJXCIMLYSAR-UHFFFAOYSA-N
XLogP6.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole (CID 4303515) is 2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole is Clc1ccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)cc1Cl.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole?
The InChIKey is IGKZJXCIMLYSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3/c20-14-8-7-12(10-15(14)21)11-25-17-6-2-1-5-16(17)24-19(25)13-4-3-9-23-18(13)22/h1-10H,11H2.
What are the key properties of 2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole?
2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole has a molecular weight of 388.69 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 4303515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).