1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole

C15H12F2N4O — CID 135186230

IUPAC1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole
SMILESCOc1cc(-c2nc3cc(F)c(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C15H12F2N4O/c1-22-14-4-8(7-18-20-14)15-19-12-5-10(16)11(17)6-13(12)21(15)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyWARWXVPSCNZSCA-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.12
Rot. Bonds3

About 1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole

1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole (PubChem CID 135186230) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole
PubChem CID135186230
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole
SMILESCOc1cc(-c2nc3cc(F)c(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C15H12F2N4O/c1-22-14-4-8(7-18-20-14)15-19-12-5-10(16)11(17)6-13(12)21(15)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyWARWXVPSCNZSCA-UHFFFAOYSA-N
XLogP3.12
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole?
The IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole (CID 135186230) is 1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole is COc1cc(-c2nc3cc(F)c(F)cc3n2C2CC2)cnn1.
What is the InChIKey of 1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole?
The InChIKey is WARWXVPSCNZSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c1-22-14-4-8(7-18-20-14)15-19-12-5-10(16)11(17)6-13(12)21(15)9-2-3-9/h4-7,9H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole?
1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole has a molecular weight of 302.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5,6-difluoro-2-(6-methoxypyridazin-4-yl)benzimidazole is sourced from PubChem (CID 135186230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).