4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole

C15H13ClN4 — CID 135186435

IUPAC4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole
SMILESCc1cc(-c2nc3c(Cl)cccc3n2C2CC2)cnn1
InChIInChI=1S/C15H13ClN4/c1-9-7-10(8-17-19-9)15-18-14-12(16)3-2-4-13(14)20(15)11-5-6-11/h2-4,7-8,11H,5-6H2,1H3
InChIKeyMXCDONFBRRPXTN-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.79
Rot. Bonds2

About 4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole

4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole (PubChem CID 135186435) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole
PubChem CID135186435
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole
SMILESCc1cc(-c2nc3c(Cl)cccc3n2C2CC2)cnn1
InChIInChI=1S/C15H13ClN4/c1-9-7-10(8-17-19-9)15-18-14-12(16)3-2-4-13(14)20(15)11-5-6-11/h2-4,7-8,11H,5-6H2,1H3
InChIKeyMXCDONFBRRPXTN-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole?
The IUPAC name of 4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole (CID 135186435) is 4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole.
What is the SMILES notation for 4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole?
The canonical SMILES for 4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole is Cc1cc(-c2nc3c(Cl)cccc3n2C2CC2)cnn1.
What is the InChIKey of 4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole?
The InChIKey is MXCDONFBRRPXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-9-7-10(8-17-19-9)15-18-14-12(16)3-2-4-13(14)20(15)11-5-6-11/h2-4,7-8,11H,5-6H2,1H3.
What are the key properties of 4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole?
4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole has a molecular weight of 284.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-2-(6-methylpyridazin-4-yl)benzimidazole is sourced from PubChem (CID 135186435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).