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

C16H20IN3 — CID 106554243

IUPACN-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2cccc(I)c2)c(NC2CCCCC2)n1
InChIInChI=1S/C16H20IN3/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)
InChIKeyFJGCFTQELHPSQM-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.53
Rot. Bonds3

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

N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine (PubChem CID 106554243) has the molecular formula C16H20IN3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine
PubChem CID106554243
Molecular FormulaC16H20IN3
Molecular Weight381.26 g/mol
Exact Mass381.07
IUPAC NameN-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2cccc(I)c2)c(NC2CCCCC2)n1
InChIInChI=1S/C16H20IN3/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)
InChIKeyFJGCFTQELHPSQM-UHFFFAOYSA-N
XLogP4.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
N-cyclopentyl-1-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566756
N-cyclopentyl-1-(3-iodophenyl)imidazol-2-amine
CID 106554214
N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
CID 106554290
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
N-cyclohexyl-4-methyl-1-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562135
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285
1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106554234
1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine?
The IUPAC name of N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine (CID 106554243) is N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine is Cc1cn(-c2cccc(I)c2)c(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine?
The InChIKey is FJGCFTQELHPSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3/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 N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine?
N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine has a molecular weight of 381.26 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106554243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).