1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine

C16H20BrN3 — CID 106558666

IUPAC1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(-c2cccc(Br)c2)c(NC2CCCCC2)n1
InChIInChI=1S/C16H20BrN3/c1-12-11-20(15-9-5-6-13(17)10-15)16(18-12)19-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyFWZYCBLFKBKOJK-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.69
Rot. Bonds3

About 1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine

1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine (PubChem CID 106558666) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
PubChem CID106558666
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(-c2cccc(Br)c2)c(NC2CCCCC2)n1
InChIInChI=1S/C16H20BrN3/c1-12-11-20(15-9-5-6-13(17)10-15)16(18-12)19-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyFWZYCBLFKBKOJK-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine
CID 106554243
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
N-cyclopentyl-1-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566756
1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106569126
N-cyclohexyl-4-methyl-1-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562135
1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106583046
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropyl-4-methylimidazol-2-amine
CID 106574055
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
CID 106554290
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine (CID 106558666) is 1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine is Cc1cn(-c2cccc(Br)c2)c(NC2CCCCC2)n1.
What is the InChIKey of 1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine?
The InChIKey is FWZYCBLFKBKOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-12-11-20(15-9-5-6-13(17)10-15)16(18-12)19-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine?
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106558666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).