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

C16H13F2N3 — CID 56645572

IUPAC1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole
SMILESCc1ccncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C16H13F2N3/c1-9-4-5-19-8-11(9)16-20-14-6-12(17)13(18)7-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3
InChIKeyWWISSKGZSZWHFY-UHFFFAOYSA-N
MW285.30 g/mol
LogP4.02
Rot. Bonds2

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

1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole (PubChem CID 56645572) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole
PubChem CID56645572
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole
SMILESCc1ccncc1-c1nc2cc(F)c(F)cc2n1C1CC1
InChIInChI=1S/C16H13F2N3/c1-9-4-5-19-8-11(9)16-20-14-6-12(17)13(18)7-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3
InChIKeyWWISSKGZSZWHFY-UHFFFAOYSA-N
XLogP4.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole?
The IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole (CID 56645572) is 1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole is Cc1ccncc1-c1nc2cc(F)c(F)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole?
The InChIKey is WWISSKGZSZWHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-9-4-5-19-8-11(9)16-20-14-6-12(17)13(18)7-15(14)21(16)10-2-3-10/h4-8,10H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole?
1-cyclopropyl-5,6-difluoro-2-(4-methyl-3-pyridinyl)benzimidazole has a molecular weight of 285.30 g/mol, XLogP of 4.02, 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-(4-methyl-3-pyridinyl)benzimidazole is sourced from PubChem (CID 56645572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).