4-bromo-2-(1-methylimidazol-4-yl)aniline

C10H10BrN3 — CID 163393520

IUPAC4-bromo-2-(1-methylimidazol-4-yl)aniline
SMILESCn1cnc(-c2cc(Br)ccc2N)c1
InChIInChI=1S/C10H10BrN3/c1-14-5-10(13-6-14)8-4-7(11)2-3-9(8)12/h2-6H,12H2,1H3
InChIKeyJPOIMRQADBTOMK-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.43
Rot. Bonds1

About 4-bromo-2-(1-methylimidazol-4-yl)aniline

4-bromo-2-(1-methylimidazol-4-yl)aniline (PubChem CID 163393520) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 4-bromo-2-(1-methylimidazol-4-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-(1-methylimidazol-4-yl)aniline
PubChem CID163393520
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name4-bromo-2-(1-methylimidazol-4-yl)aniline
SMILESCn1cnc(-c2cc(Br)ccc2N)c1
InChIInChI=1S/C10H10BrN3/c1-14-5-10(13-6-14)8-4-7(11)2-3-9(8)12/h2-6H,12H2,1H3
InChIKeyJPOIMRQADBTOMK-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromophenyl)-1-methylimidazole
CID 54081748
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972748
4-bromo-2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62722487
4-(1-methylimidazol-4-yl)pyridin-2-amine
CID 130509091
(5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978535
4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole
CID 82081404
2-(1-methylimidazol-4-yl)benzaldehyde
CID 123462698
4-[(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-1-methylimidazole
CID 58373633
6-bromo-1-methylindazol-3-amine
CID 46835549
4-bromo-2-(1H-pyrazol-5-yl)aniline
CID 19772998
2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine
CID 138455289

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-methylimidazol-4-yl)aniline?
The IUPAC name of 4-bromo-2-(1-methylimidazol-4-yl)aniline (CID 163393520) is 4-bromo-2-(1-methylimidazol-4-yl)aniline.
What is the SMILES notation for 4-bromo-2-(1-methylimidazol-4-yl)aniline?
The canonical SMILES for 4-bromo-2-(1-methylimidazol-4-yl)aniline is Cn1cnc(-c2cc(Br)ccc2N)c1.
What is the InChIKey of 4-bromo-2-(1-methylimidazol-4-yl)aniline?
The InChIKey is JPOIMRQADBTOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-14-5-10(13-6-14)8-4-7(11)2-3-9(8)12/h2-6H,12H2,1H3.
What are the key properties of 4-bromo-2-(1-methylimidazol-4-yl)aniline?
4-bromo-2-(1-methylimidazol-4-yl)aniline has a molecular weight of 252.12 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-methylimidazol-4-yl)aniline is sourced from PubChem (CID 163393520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).