N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide

C25H27Cl3N4O4 — CID 23990040

IUPACN-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)COc3ccc(Cl)cc3)CCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H27Cl3N4O4/c26-16-2-8-19(9-3-16)36-14-22(33)31-11-12-32(25(35)15-1-10-20(27)21(28)13-15)24(31)23(34)30-18-6-4-17(29)5-7-18/h1-3,8-10,13,17-18,24H,4-7,11-12,14,29H2,(H,30,34)
InChIKeyNLERNPFUCFRAKI-UHFFFAOYSA-N
MW553.87 g/mol
LogP3.72
Rot. Bonds6

About N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide

N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide (PubChem CID 23990040) has the molecular formula C25H27Cl3N4O4 and a molecular weight of 553.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
PubChem CID23990040
Molecular FormulaC25H27Cl3N4O4
Molecular Weight553.87 g/mol
Exact Mass552.11
IUPAC NameN-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)COc3ccc(Cl)cc3)CCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H27Cl3N4O4/c26-16-2-8-19(9-3-16)36-14-22(33)31-11-12-32(25(35)15-1-10-20(27)21(28)13-15)24(31)23(34)30-18-6-4-17(29)5-7-18/h1-3,8-10,13,17-18,24H,4-7,11-12,14,29H2,(H,30,34)
InChIKeyNLERNPFUCFRAKI-UHFFFAOYSA-N
XLogP3.72
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.87
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
CID 23993327
N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
CID 23903155
2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549019
2-N-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23876800
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(3,4-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23738515
2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
CID 23876492
N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23937280
N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-[2-(4-methoxyphenyl)acetyl]-1,3-diazinane-2-carboxamide
CID 23761700
phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate
CID 23884026
N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119476502

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide (CID 23990040) is N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide is NC1CCC(NC(=O)C2N(C(=O)COc3ccc(Cl)cc3)CCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide?
The InChIKey is NLERNPFUCFRAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl3N4O4/c26-16-2-8-19(9-3-16)36-14-22(33)31-11-12-32(25(35)15-1-10-20(27)21(28)13-15)24(31)23(34)30-18-6-4-17(29)5-7-18/h1-3,8-10,13,17-18,24H,4-7,11-12,14,29H2,(H,30,34).
What are the key properties of N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide?
N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide has a molecular weight of 553.87 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23990040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).