2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole

C15H13ClN2 — CID 64722904

IUPAC2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(C)cccc3[nH]2)cc1Cl
InChIInChI=1S/C15H13ClN2/c1-9-6-7-11(8-12(9)16)15-17-13-5-3-4-10(2)14(13)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyYMSOGUQMTSIMDY-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.50
Rot. Bonds1

About 2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole

2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole (PubChem CID 64722904) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
PubChem CID64722904
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(C)cccc3[nH]2)cc1Cl
InChIInChI=1S/C15H13ClN2/c1-9-6-7-11(8-12(9)16)15-17-13-5-3-4-10(2)14(13)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyYMSOGUQMTSIMDY-UHFFFAOYSA-N
XLogP4.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole (CID 64722904) is 2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole is Cc1ccc(-c2nc3c(C)cccc3[nH]2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole?
The InChIKey is YMSOGUQMTSIMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-9-6-7-11(8-12(9)16)15-17-13-5-3-4-10(2)14(13)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole?
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole has a molecular weight of 256.74 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 64722904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).