2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole

C17H17ClN2 — CID 43666303

IUPAC2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
SMILESCC(c1ccccc1)n1c(CCCl)nc2ccccc21
InChIInChI=1S/C17H17ClN2/c1-13(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)19-17(20)11-12-18/h2-10,13H,11-12H2,1H3
InChIKeyLDVSMDQBFCIZAC-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.43
Rot. Bonds4

About 2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole

2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole (PubChem CID 43666303) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
PubChem CID43666303
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
SMILESCC(c1ccccc1)n1c(CCCl)nc2ccccc21
InChIInChI=1S/C17H17ClN2/c1-13(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)19-17(20)11-12-18/h2-10,13H,11-12H2,1H3
InChIKeyLDVSMDQBFCIZAC-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.43
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-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 43667584
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole
CID 18878245
2-(2-chloroethyl)-1-(4-methylsulfanylbutan-2-yl)benzimidazole
CID 113477871
N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
CID 7366362
2-(chloromethyl)-5-fluoro-1-(1-phenylethyl)benzimidazole
CID 43660125
2-(2-chloroethyl)-5-iodo-1-(1-pyridin-4-ylethyl)benzimidazole
CID 66080837
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986880
2-[(2-methoxyphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
CID 5088785

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole (CID 43666303) is 2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole is CC(c1ccccc1)n1c(CCCl)nc2ccccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole?
The InChIKey is LDVSMDQBFCIZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-13(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)19-17(20)11-12-18/h2-10,13H,11-12H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole?
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole has a molecular weight of 284.79 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole is sourced from PubChem (CID 43666303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).