N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine

C16H14BrN3O — CID 106569079

IUPACN-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine
SMILESCOc1ccc(Br)cc1Nc1nccn1-c1ccccc1
InChIInChI=1S/C16H14BrN3O/c1-21-15-8-7-12(17)11-14(15)19-16-18-9-10-20(16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
InChIKeyBUDHLIYRLAEFMN-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.39
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine

N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine (PubChem CID 106569079) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine
PubChem CID106569079
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine
SMILESCOc1ccc(Br)cc1Nc1nccn1-c1ccccc1
InChIInChI=1S/C16H14BrN3O/c1-21-15-8-7-12(17)11-14(15)19-16-18-9-10-20(16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
InChIKeyBUDHLIYRLAEFMN-UHFFFAOYSA-N
XLogP4.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080
N-(2-methylphenyl)-1-phenylimidazol-2-amine
CID 106560579
1-(3-methoxyphenyl)-N-phenylimidazol-2-amine
CID 106559903
N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine
CID 106556318
4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367654
3-ethyl-1-methyl-N-(1-phenylimidazol-2-yl)pyrazol-4-amine
CID 107465410
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
CID 80804696
1-(3-bromo-5-methylphenyl)-N-phenylimidazol-2-amine
CID 107581423
N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
CID 102824089
4-N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80804520
1-(4-bromo-2-fluorophenyl)-N-phenylimidazol-2-amine
CID 106556947
3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
CID 82817698

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine (CID 106569079) is N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine is COc1ccc(Br)cc1Nc1nccn1-c1ccccc1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine?
The InChIKey is BUDHLIYRLAEFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-21-15-8-7-12(17)11-14(15)19-16-18-9-10-20(16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine?
N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine has a molecular weight of 344.21 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 106569079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).