N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine

C15H18IN3 — CID 106554290

IUPACN-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2ccccc2I)c(NC2CCCC2)n1
InChIInChI=1S/C15H18IN3/c1-11-10-19(14-9-5-4-8-13(14)16)15(17-11)18-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyCOXQUJVTLNRJRU-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.14
Rot. Bonds3

About N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine

N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine (PubChem CID 106554290) has the molecular formula C15H18IN3 and a molecular weight of 367.23 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
PubChem CID106554290
Molecular FormulaC15H18IN3
Molecular Weight367.23 g/mol
Exact Mass367.05
IUPAC NameN-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2ccccc2I)c(NC2CCCC2)n1
InChIInChI=1S/C15H18IN3/c1-11-10-19(14-9-5-4-8-13(14)16)15(17-11)18-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyCOXQUJVTLNRJRU-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.14
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-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine
CID 106554243
1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
1-(5-bromo-2,4-difluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106583046
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106557711
N-cyclopentyl-1-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566756
N-cyclopropyl-1-isoquinolin-5-yl-4-methylimidazol-2-amine
CID 106562841
N-cyclohexyl-4-methyl-1-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562135

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine?
The IUPAC name of N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine (CID 106554290) is N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine is Cc1cn(-c2ccccc2I)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine?
The InChIKey is COXQUJVTLNRJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3/c1-11-10-19(14-9-5-4-8-13(14)16)15(17-11)18-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine?
N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine has a molecular weight of 367.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106554290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).