1-(2-bromo-4-propan-2-ylphenyl)benzimidazole

C16H15BrN2 — CID 174453392

IUPAC1-(2-bromo-4-propan-2-ylphenyl)benzimidazole
SMILESCC(C)c1ccc(-n2cnc3ccccc32)c(Br)c1
InChIInChI=1S/C16H15BrN2/c1-11(2)12-7-8-15(13(17)9-12)19-10-18-14-5-3-4-6-16(14)19/h3-11H,1-2H3
InChIKeyRIMWLEWELCJGEP-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.91
Rot. Bonds2

About 1-(2-bromo-4-propan-2-ylphenyl)benzimidazole

1-(2-bromo-4-propan-2-ylphenyl)benzimidazole (PubChem CID 174453392) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(2-bromo-4-propan-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromo-4-propan-2-ylphenyl)benzimidazole
PubChem CID174453392
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name1-(2-bromo-4-propan-2-ylphenyl)benzimidazole
SMILESCC(C)c1ccc(-n2cnc3ccccc32)c(Br)c1
InChIInChI=1S/C16H15BrN2/c1-11(2)12-7-8-15(13(17)9-12)19-10-18-14-5-3-4-6-16(14)19/h3-11H,1-2H3
InChIKeyRIMWLEWELCJGEP-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
(1S)-1-[2-(benzimidazol-1-yl)phenyl]ethanol
CID 78941271
N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine
CID 62124742
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834
(1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol
CID 63372231
[2-(benzimidazol-1-yl)-5-methylphenyl]methanol
CID 114054526
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
1-(2-ethylphenyl)benzimidazole
CID 22078308
2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine
CID 63815534
2-(benzimidazol-1-yl)-5-bromobenzamide
CID 114896304
3,4-bis(benzimidazol-1-yl)benzonitrile
CID 122546288
1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine
CID 63816233

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)benzimidazole?
The IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)benzimidazole (CID 174453392) is 1-(2-bromo-4-propan-2-ylphenyl)benzimidazole.
What is the SMILES notation for 1-(2-bromo-4-propan-2-ylphenyl)benzimidazole?
The canonical SMILES for 1-(2-bromo-4-propan-2-ylphenyl)benzimidazole is CC(C)c1ccc(-n2cnc3ccccc32)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-propan-2-ylphenyl)benzimidazole?
The InChIKey is RIMWLEWELCJGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-11(2)12-7-8-15(13(17)9-12)19-10-18-14-5-3-4-6-16(14)19/h3-11H,1-2H3.
What are the key properties of 1-(2-bromo-4-propan-2-ylphenyl)benzimidazole?
1-(2-bromo-4-propan-2-ylphenyl)benzimidazole has a molecular weight of 315.21 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 174453392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).