2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole

C17H17ClN2 — CID 60902601

IUPAC2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2Cc1ccccc1C
InChIInChI=1S/C17H17ClN2/c1-12-7-8-16-15(9-12)19-17(10-18)20(16)11-14-6-4-3-5-13(14)2/h3-9H,10-11H2,1-2H3
InChIKeyNFGJXBFRUCRHLU-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.44
Rot. Bonds3

About 2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole

2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 60902601) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole
PubChem CID60902601
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2Cc1ccccc1C
InChIInChI=1S/C17H17ClN2/c1-12-7-8-16-15(9-12)19-17(10-18)20(16)11-14-6-4-3-5-13(14)2/h3-9H,10-11H2,1-2H3
InChIKeyNFGJXBFRUCRHLU-UHFFFAOYSA-N
XLogP4.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79757744
[5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methanol
CID 82333264
5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine
CID 54944327
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 43660329
5-bromo-2-(chloromethyl)-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79754736
[1-[(2-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333263
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
2-(chloromethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63960619
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole (CID 60902601) is 2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole is Cc1ccc2c(c1)nc(CCl)n2Cc1ccccc1C.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is NFGJXBFRUCRHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-12-7-8-16-15(9-12)19-17(10-18)20(16)11-14-6-4-3-5-13(14)2/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole?
2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 284.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 60902601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).