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

C15H18BrN3 — CID 63046992

IUPAC3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESNC1CCCC(c2ncc(-c3cccc(Br)c3)[nH]2)C1
InChIInChI=1S/C15H18BrN3/c16-12-5-1-3-10(7-12)14-9-18-15(19-14)11-4-2-6-13(17)8-11/h1,3,5,7,9,11,13H,2,4,6,8,17H2,(H,18,19)
InChIKeyQYMBNYLTPCAIFB-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.82
Rot. Bonds2

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

3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine (PubChem CID 63046992) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
PubChem CID63046992
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESNC1CCCC(c2ncc(-c3cccc(Br)c3)[nH]2)C1
InChIInChI=1S/C15H18BrN3/c16-12-5-1-3-10(7-12)14-9-18-15(19-14)11-4-2-6-13(17)8-11/h1,3,5,7,9,11,13H,2,4,6,8,17H2,(H,18,19)
InChIKeyQYMBNYLTPCAIFB-UHFFFAOYSA-N
XLogP3.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine (CID 63046992) is 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine is NC1CCCC(c2ncc(-c3cccc(Br)c3)[nH]2)C1.
What is the InChIKey of 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The InChIKey is QYMBNYLTPCAIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c16-12-5-1-3-10(7-12)14-9-18-15(19-14)11-4-2-6-13(17)8-11/h1,3,5,7,9,11,13H,2,4,6,8,17H2,(H,18,19).
What are the key properties of 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 63046992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).