1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole

C19H13Cl2N3 — CID 1488400

IUPAC1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2Cc2ccccc2Cl)cn1
InChIInChI=1S/C19H13Cl2N3/c20-15-6-2-1-5-14(15)12-24-17-8-4-3-7-16(17)23-19(24)13-9-10-18(21)22-11-13/h1-11H,12H2
InChIKeyYCJXALWLTSNLIF-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.45
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole

1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole (PubChem CID 1488400) has the molecular formula C19H13Cl2N3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole
PubChem CID1488400
Molecular FormulaC19H13Cl2N3
Molecular Weight354.24 g/mol
Exact Mass353.05
IUPAC Name1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2Cc2ccccc2Cl)cn1
InChIInChI=1S/C19H13Cl2N3/c20-15-6-2-1-5-14(15)12-24-17-8-4-3-7-16(17)23-19(24)13-9-10-18(21)22-11-13/h1-11H,12H2
InChIKeyYCJXALWLTSNLIF-UHFFFAOYSA-N
XLogP5.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.45
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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Related Compounds

1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243205
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole
CID 86629823
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18878804
4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106
2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol
CID 121269678
3-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 85141126
(E)-3-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10431295
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole (CID 1488400) is 1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole is Clc1ccc(-c2nc3ccccc3n2Cc2ccccc2Cl)cn1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole?
The InChIKey is YCJXALWLTSNLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3/c20-15-6-2-1-5-14(15)12-24-17-8-4-3-7-16(17)23-19(24)13-9-10-18(21)22-11-13/h1-11H,12H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole?
1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole has a molecular weight of 354.24 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-(6-chloro-3-pyridinyl)benzimidazole is sourced from PubChem (CID 1488400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).