2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole

C18H17ClN2 — CID 43667336

IUPAC2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1-c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17ClN2/c1-12(19)18-20-16-7-2-3-8-17(16)21(18)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-12H,4-6H2,1H3
InChIKeyFKLIUIHDLDBPCQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.81
Rot. Bonds2

About 2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole

2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole (PubChem CID 43667336) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole
PubChem CID43667336
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1-c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17ClN2/c1-12(19)18-20-16-7-2-3-8-17(16)21(18)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-12H,4-6H2,1H3
InChIKeyFKLIUIHDLDBPCQ-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.81
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-(2,3-dihydro-1H-inden-5-yl)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-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667104
2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666841
2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole
CID 43667330
2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 83079081
2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 61075050
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)benzimidazole
CID 81275735
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
2-(1-chloroethyl)-1-piperidin-1-ylbenzimidazole
CID 83018305
1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine
CID 78166390

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole (CID 43667336) is 2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole is CC(Cl)c1nc2ccccc2n1-c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole?
The InChIKey is FKLIUIHDLDBPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12(19)18-20-16-7-2-3-8-17(16)21(18)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-12H,4-6H2,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole?
2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole has a molecular weight of 296.80 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole is sourced from PubChem (CID 43667336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).