2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide

C24H28ClFN6O3 — CID 23994221

IUPAC2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)Nc3cccc(F)c3)CCN2C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C24H28ClFN6O3/c25-15-3-1-5-19(13-15)29-23(34)31-11-12-32(24(35)30-20-6-2-4-16(26)14-20)22(31)21(33)28-18-9-7-17(27)8-10-18/h1-6,13-14,17-18,22H,7-12,27H2,(H,28,33)(H,29,34)(H,30,35)
InChIKeyASSDTXRWGNHPOO-UHFFFAOYSA-N
MW502.98 g/mol
LogP3.57
Rot. Bonds4

About 2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide

2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide (PubChem CID 23994221) has the molecular formula C24H28ClFN6O3 and a molecular weight of 502.98 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
PubChem CID23994221
Molecular FormulaC24H28ClFN6O3
Molecular Weight502.98 g/mol
Exact Mass502.19
IUPAC Name2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)Nc3cccc(F)c3)CCN2C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C24H28ClFN6O3/c25-15-3-1-5-19(13-15)29-23(34)31-11-12-32(24(35)30-20-6-2-4-16(26)14-20)22(31)21(33)28-18-9-7-17(27)8-10-18/h1-6,13-14,17-18,22H,7-12,27H2,(H,28,33)(H,29,34)(H,30,35)
InChIKeyASSDTXRWGNHPOO-UHFFFAOYSA-N
XLogP3.57
TPSA119.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.98
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide
CID 23764104
2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23821876
2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
CID 23761481
N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23937280
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
CID 23936832
2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide
CID 23771261
4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 115312295
2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide
CID 23795385
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide
CID 23941237
2-N-[[3-(aminomethyl)phenyl]methyl]-3-N-(3,4-dichlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
CID 23907719
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide (CID 23994221) is 2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide is NC1CCC(NC(=O)C2N(C(=O)Nc3cccc(F)c3)CCN2C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide?
The InChIKey is ASSDTXRWGNHPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN6O3/c25-15-3-1-5-19(13-15)29-23(34)31-11-12-32(24(35)30-20-6-2-4-16(26)14-20)22(31)21(33)28-18-9-7-17(27)8-10-18/h1-6,13-14,17-18,22H,7-12,27H2,(H,28,33)(H,29,34)(H,30,35).
What are the key properties of 2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide?
2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide has a molecular weight of 502.98 g/mol, XLogP of 3.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide is sourced from PubChem (CID 23994221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).