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

C14H16BrN3 — CID 60866314

IUPAC1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine
SMILESCC(N)(c1ncc(-c2cccc(Br)c2)[nH]1)C1CC1
InChIInChI=1S/C14H16BrN3/c1-14(16,10-5-6-10)13-17-8-12(18-13)9-3-2-4-11(15)7-9/h2-4,7-8,10H,5-6,16H2,1H3,(H,17,18)
InChIKeyQTQWLUJRYJDQIE-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.42
Rot. Bonds3

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

1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine (PubChem CID 60866314) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine
PubChem CID60866314
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine
SMILESCC(N)(c1ncc(-c2cccc(Br)c2)[nH]1)C1CC1
InChIInChI=1S/C14H16BrN3/c1-14(16,10-5-6-10)13-17-8-12(18-13)9-3-2-4-11(15)7-9/h2-4,7-8,10H,5-6,16H2,1H3,(H,17,18)
InChIKeyQTQWLUJRYJDQIE-UHFFFAOYSA-N
XLogP3.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenylimidazole
CID 69590
2-(3-Bromophenyl)histamine
CID 23786499
2,4-Diphenylimidazole
CID 296732
4-(4-Bromophenyl)-1H-imidazole
CID 818595
4-Methyl-2-phenyl-1H-imidazole
CID 70012
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
2-(cyclohexylmethyl)-5-(4-phenylphenyl)-1H-imidazole
CID 9966703
5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
CID 10109974
4-(4-bromobenzyl)-1H-imidazole
CID 24825520

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine?
The IUPAC name of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine (CID 60866314) is 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine.
What is the SMILES notation for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine?
The canonical SMILES for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine is CC(N)(c1ncc(-c2cccc(Br)c2)[nH]1)C1CC1.
What is the InChIKey of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine?
The InChIKey is QTQWLUJRYJDQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-14(16,10-5-6-10)13-17-8-12(18-13)9-3-2-4-11(15)7-9/h2-4,7-8,10H,5-6,16H2,1H3,(H,17,18).
What are the key properties of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine?
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine has a molecular weight of 306.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine is sourced from PubChem (CID 60866314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).