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

C25H31FN6O3 — CID 23764104

IUPAC2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)Nc3cccc(F)c3)C2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C25H31FN6O3/c1-16-5-9-20(10-6-16)29-24(34)31-13-14-32(25(35)30-21-4-2-3-17(26)15-21)23(31)22(33)28-19-11-7-18(27)8-12-19/h2-6,9-10,15,18-19,23H,7-8,11-14,27H2,1H3,(H,28,33)(H,29,34)(H,30,35)
InChIKeyZNLYOUJFHOUUGG-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.23
Rot. Bonds4

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

2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide (PubChem CID 23764104) has the molecular formula C25H31FN6O3 and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide
PubChem CID23764104
Molecular FormulaC25H31FN6O3
Molecular Weight482.56 g/mol
Exact Mass482.24
IUPAC Name2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(=O)Nc3cccc(F)c3)C2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C25H31FN6O3/c1-16-5-9-20(10-6-16)29-24(34)31-13-14-32(25(35)30-21-4-2-3-17(26)15-21)23(31)22(33)28-19-11-7-18(27)8-12-19/h2-6,9-10,15,18-19,23H,7-8,11-14,27H2,1H3,(H,28,33)(H,29,34)(H,30,35)
InChIKeyZNLYOUJFHOUUGG-UHFFFAOYSA-N
XLogP3.23
TPSA119.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
CID 23994221
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
2-N-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23876800
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
N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23937280
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide
CID 23941237
4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 115312295
2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
CID 23876492
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide (CID 23764104) is 2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide is Cc1ccc(NC(=O)N2CCN(C(=O)Nc3cccc(F)c3)C2C(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide?
The InChIKey is ZNLYOUJFHOUUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O3/c1-16-5-9-20(10-6-16)29-24(34)31-13-14-32(25(35)30-21-4-2-3-17(26)15-21)23(31)22(33)28-19-11-7-18(27)8-12-19/h2-6,9-10,15,18-19,23H,7-8,11-14,27H2,1H3,(H,28,33)(H,29,34)(H,30,35).
What are the key properties of 2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide?
2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide has a molecular weight of 482.56 g/mol, XLogP of 3.23, 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-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide is sourced from PubChem (CID 23764104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).