5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine

C16H16BrN3 — CID 64696156

IUPAC5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine
SMILESCCc1ccccc1Cn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C16H16BrN3/c1-2-11-5-3-4-6-12(11)10-20-15-8-7-13(17)9-14(15)19-16(20)18/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyPURYOAITLRNRAP-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.99
Rot. Bonds3

About 5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine

5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine (PubChem CID 64696156) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine
PubChem CID64696156
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine
SMILESCCc1ccccc1Cn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C16H16BrN3/c1-2-11-5-3-4-6-12(11)10-20-15-8-7-13(17)9-14(15)19-16(20)18/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyPURYOAITLRNRAP-UHFFFAOYSA-N
XLogP3.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661491
1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101204
5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine
CID 54944327
1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 64694790
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 82872876
5-bromo-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazol-2-amine
CID 62117929
1-[(2-chlorophenyl)methyl]-5-iodobenzimidazol-2-amine
CID 66081183
3-[(2-ethylphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322450
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008382
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea
CID 83114870

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine (CID 64696156) is 5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine is CCc1ccccc1Cn1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine?
The InChIKey is PURYOAITLRNRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-2-11-5-3-4-6-12(11)10-20-15-8-7-13(17)9-14(15)19-16(20)18/h3-9H,2,10H2,1H3,(H2,18,19).
What are the key properties of 5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine?
5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine has a molecular weight of 330.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 64696156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).