1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole

C18H19BrN2 — CID 65014548

IUPAC1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CC(CBr)c1ccccc1
InChIInChI=1S/C18H19BrN2/c1-2-18-20-16-10-6-7-11-17(16)21(18)13-15(12-19)14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3
InChIKeyWQXYCJGAVIACFL-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.78
Rot. Bonds5

About 1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole

1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole (PubChem CID 65014548) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole
PubChem CID65014548
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CC(CBr)c1ccccc1
InChIInChI=1S/C18H19BrN2/c1-2-18-20-16-10-6-7-11-17(16)21(18)13-15(12-19)14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3
InChIKeyWQXYCJGAVIACFL-UHFFFAOYSA-N
XLogP4.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.78
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

1-[2-(bromomethyl)-3-methylbutyl]-2-ethylbenzimidazole
CID 65011810
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63902276
N-ethyl-N-[(2-ethylbenzimidazol-1-yl)methyl]ethanamine
CID 54753686
1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
CID 63104680
2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid
CID 63107309
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
CID 63105059
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
ethane;2-ethyl-1-hydroxybenzimidazole;methanethiol
CID 145270197
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole?
The IUPAC name of 1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole (CID 65014548) is 1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole.
What is the SMILES notation for 1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole?
The canonical SMILES for 1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole is CCc1nc2ccccc2n1CC(CBr)c1ccccc1.
What is the InChIKey of 1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole?
The InChIKey is WQXYCJGAVIACFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-2-18-20-16-10-6-7-11-17(16)21(18)13-15(12-19)14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3.
What are the key properties of 1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole?
1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole has a molecular weight of 343.27 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole is sourced from PubChem (CID 65014548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).