N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine

C21H20Cl3N3 — CID 45270174

IUPACN-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine
SMILESClc1ccc(-c2nc(CNC3CCCC3)cn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H20Cl3N3/c22-15-7-5-14(6-8-15)21-26-18(12-25-17-3-1-2-4-17)13-27(21)20-10-9-16(23)11-19(20)24/h5-11,13,17,25H,1-4,12H2
InChIKeyZZYHNLRXKIZAFQ-UHFFFAOYSA-N
MW420.77 g/mol
LogP6.53
Rot. Bonds5

About N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine

N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine (PubChem CID 45270174) has the molecular formula C21H20Cl3N3 and a molecular weight of 420.77 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine
PubChem CID45270174
Molecular FormulaC21H20Cl3N3
Molecular Weight420.77 g/mol
Exact Mass419.07
IUPAC NameN-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine
SMILESClc1ccc(-c2nc(CNC3CCCC3)cn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H20Cl3N3/c22-15-7-5-14(6-8-15)21-26-18(12-25-17-3-1-2-4-17)13-27(21)20-10-9-16(23)11-19(20)24/h5-11,13,17,25H,1-4,12H2
InChIKeyZZYHNLRXKIZAFQ-UHFFFAOYSA-N
XLogP6.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.77
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Disubstituted Pyrimidine 2j
CID 5329423
9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophenyl)-9H-purin-6-amine
CID 25190876
1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
1-(4-chlorobenzyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
CID 16682378
(2-(2,4-Dichlorophenyl)imidazo[1,2-a]pyridin-3-yl)methanamine hydrochloride (5d)
CID 39199200
2-(4-chlorophenyl)-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine
CID 4205241
1-[(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
CID 76327863
2-(4-chlorophenyl)-1-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682538
1,3-Bis-(4-chloro-phenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
CID 16681991
6-chloro-2-(2-chlorophenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
CID 4574260
N-[1-(4-chlorophenyl)propyl]-1-methyl-5-phenylimidazol-2-amine
CID 10042024
5-[(4-Chlorophenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10066826

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine (CID 45270174) is N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine is Clc1ccc(-c2nc(CNC3CCCC3)cn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine?
The InChIKey is ZZYHNLRXKIZAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N3/c22-15-7-5-14(6-8-15)21-26-18(12-25-17-3-1-2-4-17)13-27(21)20-10-9-16(23)11-19(20)24/h5-11,13,17,25H,1-4,12H2.
What are the key properties of N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine?
N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine has a molecular weight of 420.77 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazol-4-yl]methyl]cyclopentanamine is sourced from PubChem (CID 45270174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).