[1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine

C13H14BrN3 — CID 117471743

IUPAC[1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccc(-n3ccnc3)c(Br)c2)CC1
InChIInChI=1S/C13H14BrN3/c14-11-7-10(13(8-15)3-4-13)1-2-12(11)17-6-5-16-9-17/h1-2,5-7,9H,3-4,8,15H2
InChIKeyBNANHYVZXGBCSM-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.63
Rot. Bonds3

About [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine

[1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine (PubChem CID 117471743) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine
PubChem CID117471743
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name[1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccc(-n3ccnc3)c(Br)c2)CC1
InChIInChI=1S/C13H14BrN3/c14-11-7-10(13(8-15)3-4-13)1-2-12(11)17-6-5-16-9-17/h1-2,5-7,9H,3-4,8,15H2
InChIKeyBNANHYVZXGBCSM-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine 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

[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
[1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine
CID 117416499
3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 82799187
1-(3-bromo-4-imidazol-1-ylphenyl)-4-(oxetan-3-ylmethyl)piperazine
CID 122640186
1-(2-bromo-4-nitrophenyl)imidazole
CID 1475101
[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117477395
4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117490337
4-bromo-3-imidazol-1-ylpyridine
CID 84688960
[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]methanamine
CID 66633522
1-(4-bromo-2-methylphenyl)imidazole
CID 70332968
5-(aminomethyl)-2-imidazol-1-ylphenol
CID 84662023
(2-bromo-5-imidazol-1-ylphenyl)methanamine
CID 84707582

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine (CID 117471743) is [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine is NCC1(c2ccc(-n3ccnc3)c(Br)c2)CC1.
What is the InChIKey of [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine?
The InChIKey is BNANHYVZXGBCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-11-7-10(13(8-15)3-4-13)1-2-12(11)17-6-5-16-9-17/h1-2,5-7,9H,3-4,8,15H2.
What are the key properties of [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine?
[1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine has a molecular weight of 292.18 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117471743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).