2-(4-bromohexyl)-1-ethylbenzimidazole

C15H21BrN2 — CID 79751263

IUPAC2-(4-bromohexyl)-1-ethylbenzimidazole
SMILESCCC(Br)CCCc1nc2ccccc2n1CC
InChIInChI=1S/C15H21BrN2/c1-3-12(16)8-7-11-15-17-13-9-5-6-10-14(13)18(15)4-2/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyRHSJBLZSECGFEX-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.55
Rot. Bonds6

About 2-(4-bromohexyl)-1-ethylbenzimidazole

2-(4-bromohexyl)-1-ethylbenzimidazole (PubChem CID 79751263) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-(4-bromohexyl)-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-(4-bromohexyl)-1-ethylbenzimidazole
PubChem CID79751263
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name2-(4-bromohexyl)-1-ethylbenzimidazole
SMILESCCC(Br)CCCc1nc2ccccc2n1CC
InChIInChI=1S/C15H21BrN2/c1-3-12(16)8-7-11-15-17-13-9-5-6-10-14(13)18(15)4-2/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyRHSJBLZSECGFEX-UHFFFAOYSA-N
XLogP4.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.55
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

6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125
1-ethyl-2-pentylbenzimidazole
CID 3463966
1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
CID 79757596
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
CID 79750345
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79750506
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
2-(4-bromo-4-phenylbutyl)-1-methylbenzimidazole
CID 79757624
CID 59065201
CID 59065201

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromohexyl)-1-ethylbenzimidazole?
The IUPAC name of 2-(4-bromohexyl)-1-ethylbenzimidazole (CID 79751263) is 2-(4-bromohexyl)-1-ethylbenzimidazole.
What is the SMILES notation for 2-(4-bromohexyl)-1-ethylbenzimidazole?
The canonical SMILES for 2-(4-bromohexyl)-1-ethylbenzimidazole is CCC(Br)CCCc1nc2ccccc2n1CC.
What is the InChIKey of 2-(4-bromohexyl)-1-ethylbenzimidazole?
The InChIKey is RHSJBLZSECGFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-3-12(16)8-7-11-15-17-13-9-5-6-10-14(13)18(15)4-2/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-(4-bromohexyl)-1-ethylbenzimidazole?
2-(4-bromohexyl)-1-ethylbenzimidazole has a molecular weight of 309.25 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromohexyl)-1-ethylbenzimidazole is sourced from PubChem (CID 79751263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).