5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine

C15H14BrN3O — CID 43661463

IUPAC5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCOc1ccc(Cn2c(N)nc3cc(Br)ccc32)cc1
InChIInChI=1S/C15H14BrN3O/c1-20-12-5-2-10(3-6-12)9-19-14-7-4-11(16)8-13(14)18-15(19)17/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyLBRNESFMWWRSLQ-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.44
Rot. Bonds3

About 5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine

5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine (PubChem CID 43661463) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
PubChem CID43661463
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCOc1ccc(Cn2c(N)nc3cc(Br)ccc32)cc1
InChIInChI=1S/C15H14BrN3O/c1-20-12-5-2-10(3-6-12)9-19-14-7-4-11(16)8-13(14)18-15(19)17/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyLBRNESFMWWRSLQ-UHFFFAOYSA-N
XLogP3.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
5-bromo-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661491
5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine
CID 64696156
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-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
CID 106008088
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008382
1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 58564987
6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
CID 65344818
1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine
CID 21484267

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine (CID 43661463) is 5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine is COc1ccc(Cn2c(N)nc3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The InChIKey is LBRNESFMWWRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-20-12-5-2-10(3-6-12)9-19-14-7-4-11(16)8-13(14)18-15(19)17/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine has a molecular weight of 332.20 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 43661463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).