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

C24H31N5O3S — CID 23936832

IUPAC2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)Cc3cccs3)C2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C24H31N5O3S/c1-16-4-2-5-19(14-16)27-24(32)29-12-11-28(21(30)15-20-6-3-13-33-20)23(29)22(31)26-18-9-7-17(25)8-10-18/h2-6,13-14,17-18,23H,7-12,15,25H2,1H3,(H,26,31)(H,27,32)
InChIKeyLYGCANQHAKWBAT-UHFFFAOYSA-N
MW469.61 g/mol
LogP2.69
Rot. Bonds5

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

2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23936832) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
PubChem CID23936832
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)Cc3cccs3)C2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C24H31N5O3S/c1-16-4-2-5-19(14-16)27-24(32)29-12-11-28(21(30)15-20-6-3-13-33-20)23(29)22(31)26-18-9-7-17(25)8-10-18/h2-6,13-14,17-18,23H,7-12,15,25H2,1H3,(H,26,31)(H,27,32)
InChIKeyLYGCANQHAKWBAT-UHFFFAOYSA-N
XLogP2.69
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide (CID 23936832) is 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide is Cc1cccc(NC(=O)N2CCN(C(=O)Cc3cccs3)C2C(=O)NC2CCC(N)CC2)c1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide?
The InChIKey is LYGCANQHAKWBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-16-4-2-5-19(14-16)27-24(32)29-12-11-28(21(30)15-20-6-3-13-33-20)23(29)22(31)26-18-9-7-17(25)8-10-18/h2-6,13-14,17-18,23H,7-12,15,25H2,1H3,(H,26,31)(H,27,32).
What are the key properties of 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide?
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 469.61 g/mol, XLogP of 2.69, 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-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23936832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).