2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole

C13H11ClN4 — CID 79753901

IUPAC2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole
SMILESCn1c(Cc2ccc(Cl)nn2)nc2ccccc21
InChIInChI=1S/C13H11ClN4/c1-18-11-5-3-2-4-10(11)15-13(18)8-9-6-7-12(14)17-16-9/h2-7H,8H2,1H3
InChIKeyIOVXRFLKKGVATA-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.61
Rot. Bonds2

About 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole

2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole (PubChem CID 79753901) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole
PubChem CID79753901
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole
SMILESCn1c(Cc2ccc(Cl)nn2)nc2ccccc21
InChIInChI=1S/C13H11ClN4/c1-18-11-5-3-2-4-10(11)15-13(18)8-9-6-7-12(14)17-16-9/h2-7H,8H2,1H3
InChIKeyIOVXRFLKKGVATA-UHFFFAOYSA-N
XLogP2.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 79754308
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 79754305
2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80939043
5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79750643
4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole
CID 79754486
6-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 133346066
2-(4-chlorobut-2-ynyl)-1-methylbenzimidazole
CID 79754296
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole
CID 79754810

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole (CID 79753901) is 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole is Cn1c(Cc2ccc(Cl)nn2)nc2ccccc21.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole?
The InChIKey is IOVXRFLKKGVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-18-11-5-3-2-4-10(11)15-13(18)8-9-6-7-12(14)17-16-9/h2-7H,8H2,1H3.
What are the key properties of 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole?
2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole has a molecular weight of 258.71 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 79753901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).