6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine

C16H16BrN3 — CID 65347408

IUPAC6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine
SMILESCC(C)c1ccc(-n2c(N)nc3ccc(Br)cc32)cc1
InChIInChI=1S/C16H16BrN3/c1-10(2)11-3-6-13(7-4-11)20-15-9-12(17)5-8-14(15)19-16(20)18/h3-10H,1-2H3,(H2,18,19)
InChIKeyBQBMQQPCDNQGRM-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.49
Rot. Bonds2

About 6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine

6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine (PubChem CID 65347408) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine
PubChem CID65347408
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine
SMILESCC(C)c1ccc(-n2c(N)nc3ccc(Br)cc32)cc1
InChIInChI=1S/C16H16BrN3/c1-10(2)11-3-6-13(7-4-11)20-15-9-12(17)5-8-14(15)19-16(20)18/h3-10H,1-2H3,(H2,18,19)
InChIKeyBQBMQQPCDNQGRM-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine (CID 65347408) is 6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine is CC(C)c1ccc(-n2c(N)nc3ccc(Br)cc32)cc1.
What is the InChIKey of 6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine?
The InChIKey is BQBMQQPCDNQGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-10(2)11-3-6-13(7-4-11)20-15-9-12(17)5-8-14(15)19-16(20)18/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine?
6-bromo-1-(4-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 6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 65347408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).