2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide

C23H28FN5O3S — CID 23761481

IUPAC2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)Cc3cccs3)CCN2C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C23H28FN5O3S/c24-15-3-1-4-18(13-15)27-23(32)29-11-10-28(20(30)14-19-5-2-12-33-19)22(29)21(31)26-17-8-6-16(25)7-9-17/h1-5,12-13,16-17,22H,6-11,14,25H2,(H,26,31)(H,27,32)
InChIKeyGINBHJIQXDYPLM-UHFFFAOYSA-N
MW473.57 g/mol
LogP2.52
Rot. Bonds5

About 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide

2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23761481) has the molecular formula C23H28FN5O3S and a molecular weight of 473.57 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
PubChem CID23761481
Molecular FormulaC23H28FN5O3S
Molecular Weight473.57 g/mol
Exact Mass473.19
IUPAC Name2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)Cc3cccs3)CCN2C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C23H28FN5O3S/c24-15-3-1-4-18(13-15)27-23(32)29-11-10-28(20(30)14-19-5-2-12-33-19)22(29)21(31)26-17-8-6-16(25)7-9-17/h1-5,12-13,16-17,22H,6-11,14,25H2,(H,26,31)(H,27,32)
InChIKeyGINBHJIQXDYPLM-UHFFFAOYSA-N
XLogP2.52
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
CID 23936832
2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
CID 23994221
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)-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
N-(3-fluorophenyl)-5-[1-(2-thiophen-2-ylacetyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072154
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-fluorobenzoyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carboxamide
CID 23828601
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 115312295
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870
2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide
CID 23795385

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide (CID 23761481) is 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide is NC1CCC(NC(=O)C2N(C(=O)Cc3cccs3)CCN2C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide?
The InChIKey is GINBHJIQXDYPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3S/c24-15-3-1-4-18(13-15)27-23(32)29-11-10-28(20(30)14-19-5-2-12-33-19)22(29)21(31)26-17-8-6-16(25)7-9-17/h1-5,12-13,16-17,22H,6-11,14,25H2,(H,26,31)(H,27,32).
What are the key properties of 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide?
2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 473.57 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23761481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).