2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine

C11H12BrN3 — CID 23786499

IUPAC2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C11H12BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)
InChIKeyVSKJPAMQPJDPLL-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.34
Rot. Bonds3

About 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine

2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 23786499) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID23786499
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C11H12BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)
InChIKeyVSKJPAMQPJDPLL-UHFFFAOYSA-N
XLogP2.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenylimidazole
CID 69591
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
4-(4-fluorophenyl)-1H-imidazole
CID 657876
FR-79620
CID 10421577
2,4-Diphenylimidazole
CID 296732
4-(4-Bromophenyl)-1H-imidazole
CID 818595
4-Methyl-2-phenyl-1H-imidazole
CID 70012
Imidazolylmethyleneindane 9b
CID 6540042

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine (CID 23786499) is 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine is NCCc1cnc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is VSKJPAMQPJDPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15).
What are the key properties of 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine?
2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 266.14 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 23786499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).