5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine

C16H16BrN3 — CID 43661906

IUPAC5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
SMILESCC(C)c1cccc(-n2c(N)nc3cc(Br)ccc32)c1
InChIInChI=1S/C16H16BrN3/c1-10(2)11-4-3-5-13(8-11)20-15-7-6-12(17)9-14(15)19-16(20)18/h3-10H,1-2H3,(H2,18,19)
InChIKeyWYRMGRKFOCUGHL-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.49
Rot. Bonds2

About 5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine

5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine (PubChem CID 43661906) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
PubChem CID43661906
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
SMILESCC(C)c1cccc(-n2c(N)nc3cc(Br)ccc32)c1
InChIInChI=1S/C16H16BrN3/c1-10(2)11-4-3-5-13(8-11)20-15-7-6-12(17)9-14(15)19-16(20)18/h3-10H,1-2H3,(H2,18,19)
InChIKeyWYRMGRKFOCUGHL-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine
CID 43662186
6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine
CID 65347408
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine
CID 63498452
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 63546227
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852
5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 43661954
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine (CID 43661906) is 5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine is CC(C)c1cccc(-n2c(N)nc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine?
The InChIKey is WYRMGRKFOCUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-10(2)11-4-3-5-13(8-11)20-15-7-6-12(17)9-14(15)19-16(20)18/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine?
5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine has a molecular weight of 330.23 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 43661906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).