2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole

C21H17ClFN3 — CID 1487315

IUPAC2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2nc(-c3cccnc3Cl)n(Cc3cccc(F)c3)c2cc1C
InChIInChI=1S/C21H17ClFN3/c1-13-9-18-19(10-14(13)2)26(12-15-5-3-6-16(23)11-15)21(25-18)17-7-4-8-24-20(17)22/h3-11H,12H2,1-2H3
InChIKeyRXPPGEPLDJCMIR-UHFFFAOYSA-N
MW365.84 g/mol
LogP5.56
Rot. Bonds3

About 2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole

2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole (PubChem CID 1487315) has the molecular formula C21H17ClFN3 and a molecular weight of 365.84 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
PubChem CID1487315
Molecular FormulaC21H17ClFN3
Molecular Weight365.84 g/mol
Exact Mass365.11
IUPAC Name2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2nc(-c3cccnc3Cl)n(Cc3cccc(F)c3)c2cc1C
InChIInChI=1S/C21H17ClFN3/c1-13-9-18-19(10-14(13)2)26(12-15-5-3-6-16(23)11-15)21(25-18)17-7-4-8-24-20(17)22/h3-11H,12H2,1-2H3
InChIKeyRXPPGEPLDJCMIR-UHFFFAOYSA-N
XLogP5.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.84
LogP ≤ 55.56
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

2-(2-chloro-3-pyridinyl)-1-[(3,4-dichlorophenyl)methyl]benzimidazole
CID 4303515
1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole
CID 6183360
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 25128386
3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289581
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanethiol
CID 82333392
5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136075
3-[(3-fluorophenyl)methyl]-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164729
1-benzyl-5,6-dimethyl-2-(trifluoromethyl)benzimidazole
CID 162534871
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
3-[(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39157957

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole (CID 1487315) is 2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole is Cc1cc2nc(-c3cccnc3Cl)n(Cc3cccc(F)c3)c2cc1C.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole?
The InChIKey is RXPPGEPLDJCMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3/c1-13-9-18-19(10-14(13)2)26(12-15-5-3-6-16(23)11-15)21(25-18)17-7-4-8-24-20(17)22/h3-11H,12H2,1-2H3.
What are the key properties of 2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole?
2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole has a molecular weight of 365.84 g/mol, XLogP of 5.56, 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-fluorophenyl)methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 1487315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).