1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole

C16H12F3N3 — CID 56645571

IUPAC1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole
SMILESCc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C16H12F3N3/c1-8-10(6-20-7-13(8)19)16-21-14-4-11(17)12(18)5-15(14)22(16)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyWPQXLUHKXSHBCJ-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.16
Rot. Bonds2

About 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole

1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole (PubChem CID 56645571) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole
PubChem CID56645571
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole
SMILESCc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C16H12F3N3/c1-8-10(6-20-7-13(8)19)16-21-14-4-11(17)12(18)5-15(14)22(16)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyWPQXLUHKXSHBCJ-UHFFFAOYSA-N
XLogP4.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole 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-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole?
The IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole (CID 56645571) is 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole is Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole?
The InChIKey is WPQXLUHKXSHBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-8-10(6-20-7-13(8)19)16-21-14-4-11(17)12(18)5-15(14)22(16)9-2-3-9/h4-7,9H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole?
1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole has a molecular weight of 303.29 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-4-methyl-3-pyridinyl)benzimidazole is sourced from PubChem (CID 56645571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).