1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole

C15H14ClN3 — CID 79240743

IUPAC1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3cccc(Cl)n3)c2cc1C
InChIInChI=1S/C15H14ClN3/c1-10-6-13-14(7-11(10)2)19(9-17-13)8-12-4-3-5-15(16)18-12/h3-7,9H,8H2,1-2H3
InChIKeyFUWFUGQFJAKJBQ-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.75
Rot. Bonds2

About 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole

1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole (PubChem CID 79240743) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole
PubChem CID79240743
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3cccc(Cl)n3)c2cc1C
InChIInChI=1S/C15H14ClN3/c1-10-6-13-14(7-11(10)2)19(9-17-13)8-12-4-3-5-15(16)18-12/h3-7,9H,8H2,1-2H3
InChIKeyFUWFUGQFJAKJBQ-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole (CID 79240743) is 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(Cc3cccc(Cl)n3)c2cc1C.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole?
The InChIKey is FUWFUGQFJAKJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-6-13-14(7-11(10)2)19(9-17-13)8-12-4-3-5-15(16)18-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole?
1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole has a molecular weight of 271.75 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 79240743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).