N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine

C14H15ClIN3 — CID 107605190

IUPACN-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine
SMILESClc1cc(I)ccc1Nc1nccn1C1CCCC1
InChIInChI=1S/C14H15ClIN3/c15-12-9-10(16)5-6-13(12)18-14-17-7-8-19(14)11-3-1-2-4-11/h5-9,11H,1-4H2,(H,17,18)
InChIKeyYJPAYFJYTJATGI-UHFFFAOYSA-N
MW387.65 g/mol
LogP5.00
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine

N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine (PubChem CID 107605190) has the molecular formula C14H15ClIN3 and a molecular weight of 387.65 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine
PubChem CID107605190
Molecular FormulaC14H15ClIN3
Molecular Weight387.65 g/mol
Exact Mass387.00
IUPAC NameN-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine
SMILESClc1cc(I)ccc1Nc1nccn1C1CCCC1
InChIInChI=1S/C14H15ClIN3/c15-12-9-10(16)5-6-13(12)18-14-17-7-8-19(14)11-3-1-2-4-11/h5-9,11H,1-4H2,(H,17,18)
InChIKeyYJPAYFJYTJATGI-UHFFFAOYSA-N
XLogP5.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine (CID 107605190) is N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine is Clc1cc(I)ccc1Nc1nccn1C1CCCC1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine?
The InChIKey is YJPAYFJYTJATGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3/c15-12-9-10(16)5-6-13(12)18-14-17-7-8-19(14)11-3-1-2-4-11/h5-9,11H,1-4H2,(H,17,18).
What are the key properties of N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine?
N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine has a molecular weight of 387.65 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine is sourced from PubChem (CID 107605190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).