N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine

C14H14BrCl2N3 — CID 107795932

IUPACN-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine
SMILESClc1c(Br)ccc(Nc2nccn2C2CCCC2)c1Cl
InChIInChI=1S/C14H14BrCl2N3/c15-10-5-6-11(13(17)12(10)16)19-14-18-7-8-20(14)9-3-1-2-4-9/h5-9H,1-4H2,(H,18,19)
InChIKeyPPYMHPUFBOSZFW-UHFFFAOYSA-N
MW375.10 g/mol
LogP5.81
Rot. Bonds3

About N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine

N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine (PubChem CID 107795932) has the molecular formula C14H14BrCl2N3 and a molecular weight of 375.10 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine
PubChem CID107795932
Molecular FormulaC14H14BrCl2N3
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine
SMILESClc1c(Br)ccc(Nc2nccn2C2CCCC2)c1Cl
InChIInChI=1S/C14H14BrCl2N3/c15-10-5-6-11(13(17)12(10)16)19-14-18-7-8-20(14)9-3-1-2-4-9/h5-9H,1-4H2,(H,18,19)
InChIKeyPPYMHPUFBOSZFW-UHFFFAOYSA-N
XLogP5.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.10
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-1-cyclopentylimidazol-2-amine
CID 106555665
N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine
CID 107605190
1-cyclopentyl-N-(2,6-dibromophenyl)imidazol-2-amine
CID 107605114
N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine
CID 106560907
1-cyclopropyl-N-(2,5-dibromophenyl)imidazol-2-amine
CID 106566388
N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine
CID 114002339
N-(4-bromophenyl)-1-cyclohexylimidazol-2-amine
CID 106558625
1-cyclopentyl-N-(3,5-dichlorophenyl)imidazol-2-amine
CID 106557267
1-cyclopentyl-N-(2,5-difluorophenyl)imidazol-2-amine
CID 106556885
N-(4-bromo-2,3-dichlorophenyl)-1-prop-2-enylimidazol-2-amine
CID 114002343
1-cyclooctyl-N-phenylimidazol-2-amine
CID 106557142
1-cyclohexyl-N-(2,5-difluorophenyl)imidazol-2-amine
CID 106556886

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine (CID 107795932) is N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine is Clc1c(Br)ccc(Nc2nccn2C2CCCC2)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine?
The InChIKey is PPYMHPUFBOSZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2N3/c15-10-5-6-11(13(17)12(10)16)19-14-18-7-8-20(14)9-3-1-2-4-9/h5-9H,1-4H2,(H,18,19).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine?
N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine has a molecular weight of 375.10 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine is sourced from PubChem (CID 107795932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).