2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole

C18H19ClN2 — CID 43660844

IUPAC2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2-c1ccccc1C(C)C
InChIInChI=1S/C18H19ClN2/c1-12(2)14-6-4-5-7-16(14)21-17-9-8-13(3)10-15(17)20-18(21)11-19/h4-10,12H,11H2,1-3H3
InChIKeyWHKHYPCHXPRRKE-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.20
Rot. Bonds3

About 2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole

2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole (PubChem CID 43660844) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole
PubChem CID43660844
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2-c1ccccc1C(C)C
InChIInChI=1S/C18H19ClN2/c1-12(2)14-6-4-5-7-16(14)21-17-9-8-13(3)10-15(17)20-18(21)11-19/h4-10,12H,11H2,1-3H3
InChIKeyWHKHYPCHXPRRKE-UHFFFAOYSA-N
XLogP5.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.82
LogP ≤ 55.20
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-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline
CID 106760326
1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660921
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
CID 107601483
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
CID 79278416
1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
CID 82766784
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
3-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]benzonitrile
CID 43660574
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole
CID 63547219

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole (CID 43660844) is 2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole is Cc1ccc2c(c1)nc(CCl)n2-c1ccccc1C(C)C.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole?
The InChIKey is WHKHYPCHXPRRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-12(2)14-6-4-5-7-16(14)21-17-9-8-13(3)10-15(17)20-18(21)11-19/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole?
2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole has a molecular weight of 298.82 g/mol, XLogP of 5.20, 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-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 43660844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).