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

C18H19ClN2 — CID 79757744

IUPAC2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2CCc1ccccc1C
InChIInChI=1S/C18H19ClN2/c1-13-7-8-17-16(11-13)20-18(12-19)21(17)10-9-15-6-4-3-5-14(15)2/h3-8,11H,9-10,12H2,1-2H3
InChIKeyMWCFWXSRCNTFPL-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.63
Rot. Bonds4

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

2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole (PubChem CID 79757744) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole
PubChem CID79757744
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2CCc1ccccc1C
InChIInChI=1S/C18H19ClN2/c1-13-7-8-17-16(11-13)20-18(12-19)21(17)10-9-15-6-4-3-5-14(15)2/h3-8,11H,9-10,12H2,1-2H3
InChIKeyMWCFWXSRCNTFPL-UHFFFAOYSA-N
XLogP4.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole 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-bromo-2-(chloromethyl)-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79754736
2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole
CID 60902601
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
2-(chloromethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63960619
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
N-[2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 55097963
1-[2-(5-bromothiophen-2-yl)ethyl]-2-(chloromethyl)-5-methylbenzimidazole
CID 106038014
[5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methanol
CID 82333264
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333305
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62640925

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole (CID 79757744) is 2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole is Cc1ccc2c(c1)nc(CCl)n2CCc1ccccc1C.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole?
The InChIKey is MWCFWXSRCNTFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-13-7-8-17-16(11-13)20-18(12-19)21(17)10-9-15-6-4-3-5-14(15)2/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole?
2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole has a molecular weight of 298.82 g/mol, XLogP of 4.63, 4 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-(2-methylphenyl)ethyl]benzimidazole is sourced from PubChem (CID 79757744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).