5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine

C16H20BrN3 — CID 62222947

IUPAC5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
SMILESCn1c(C2CCCCC2)nc(-c2ccccc2Br)c1N
InChIInChI=1S/C16H20BrN3/c1-20-15(18)14(12-9-5-6-10-13(12)17)19-16(20)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8,18H2,1H3
InChIKeyLUXFSPKTXRLMHA-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.48
Rot. Bonds2

About 5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine

5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine (PubChem CID 62222947) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
PubChem CID62222947
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
SMILESCn1c(C2CCCCC2)nc(-c2ccccc2Br)c1N
InChIInChI=1S/C16H20BrN3/c1-20-15(18)14(12-9-5-6-10-13(12)17)19-16(20)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8,18H2,1H3
InChIKeyLUXFSPKTXRLMHA-UHFFFAOYSA-N
XLogP4.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine?
The IUPAC name of 5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine (CID 62222947) is 5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine is Cn1c(C2CCCCC2)nc(-c2ccccc2Br)c1N.
What is the InChIKey of 5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine?
The InChIKey is LUXFSPKTXRLMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-20-15(18)14(12-9-5-6-10-13(12)17)19-16(20)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8,18H2,1H3.
What are the key properties of 5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine?
5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-cyclohexyl-3-methylimidazol-4-amine is sourced from PubChem (CID 62222947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).