2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole

C18H19ClN2 — CID 43667330

IUPAC2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole
SMILESCC(C)c1ccccc1-n1c(C(C)Cl)nc2ccccc21
InChIInChI=1S/C18H19ClN2/c1-12(2)14-8-4-6-10-16(14)21-17-11-7-5-9-15(17)20-18(21)13(3)19/h4-13H,1-3H3
InChIKeyMFEJWMBOUCFGTG-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.45
Rot. Bonds3

About 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole

2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole (PubChem CID 43667330) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole
PubChem CID43667330
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole
SMILESCC(C)c1ccccc1-n1c(C(C)Cl)nc2ccccc21
InChIInChI=1S/C18H19ClN2/c1-12(2)14-8-4-6-10-16(14)21-17-11-7-5-9-15(17)20-18(21)13(3)19/h4-13H,1-3H3
InChIKeyMFEJWMBOUCFGTG-UHFFFAOYSA-N
XLogP5.45
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 ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)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

2-propan-2-yl-1-(2-propan-2-ylphenyl)benzimidazole
CID 155173883
2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666841
2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 61075050
2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667104
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)benzimidazole
CID 81275735
2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 83079081
4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
CID 104837537
1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
CID 43823548
2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole
CID 66081230
1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667170

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole (CID 43667330) is 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole is CC(C)c1ccccc1-n1c(C(C)Cl)nc2ccccc21.
What is the InChIKey of 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole?
The InChIKey is MFEJWMBOUCFGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-12(2)14-8-4-6-10-16(14)21-17-11-7-5-9-15(17)20-18(21)13(3)19/h4-13H,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole?
2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole has a molecular weight of 298.82 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 43667330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).