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

C14H16BrN3 — CID 60865968

IUPAC1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine
SMILESCC(N)(c1ncc(-c2ccccc2Br)[nH]1)C1CC1
InChIInChI=1S/C14H16BrN3/c1-14(16,9-6-7-9)13-17-8-12(18-13)10-4-2-3-5-11(10)15/h2-5,8-9H,6-7,16H2,1H3,(H,17,18)
InChIKeyBSZDDACAROUIOE-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.42
Rot. Bonds3

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

1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine (PubChem CID 60865968) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine.

Molecular Properties

Compound Name1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine
PubChem CID60865968
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine
SMILESCC(N)(c1ncc(-c2ccccc2Br)[nH]1)C1CC1
InChIInChI=1S/C14H16BrN3/c1-14(16,9-6-7-9)13-17-8-12(18-13)10-4-2-3-5-11(10)15/h2-5,8-9H,6-7,16H2,1H3,(H,17,18)
InChIKeyBSZDDACAROUIOE-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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine?
The IUPAC name of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine (CID 60865968) is 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine.
What is the SMILES notation for 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine?
The canonical SMILES for 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine is CC(N)(c1ncc(-c2ccccc2Br)[nH]1)C1CC1.
What is the InChIKey of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine?
The InChIKey is BSZDDACAROUIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-14(16,9-6-7-9)13-17-8-12(18-13)10-4-2-3-5-11(10)15/h2-5,8-9H,6-7,16H2,1H3,(H,17,18).
What are the key properties of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine?
1-[5-(2-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-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine is sourced from PubChem (CID 60865968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).