N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide

C21H26F2N4O3 — CID 23912600

IUPACN-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)c3cc(F)cc(F)c3)CCN2C(=O)C2CC2)CC1
InChIInChI=1S/C21H26F2N4O3/c22-14-9-13(10-15(23)11-14)21(30)27-8-7-26(20(29)12-1-2-12)19(27)18(28)25-17-5-3-16(24)4-6-17/h9-12,16-17,19H,1-8,24H2,(H,25,28)
InChIKeyDLXRLWBOUUAJDB-UHFFFAOYSA-N
MW420.46 g/mol
LogP1.37
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide

N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide (PubChem CID 23912600) has the molecular formula C21H26F2N4O3 and a molecular weight of 420.46 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
PubChem CID23912600
Molecular FormulaC21H26F2N4O3
Molecular Weight420.46 g/mol
Exact Mass420.20
IUPAC NameN-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)c3cc(F)cc(F)c3)CCN2C(=O)C2CC2)CC1
InChIInChI=1S/C21H26F2N4O3/c22-14-9-13(10-15(23)11-14)21(30)27-8-7-26(20(29)12-1-2-12)19(27)18(28)25-17-5-3-16(24)4-6-17/h9-12,16-17,19H,1-8,24H2,(H,25,28)
InChIKeyDLXRLWBOUUAJDB-UHFFFAOYSA-N
XLogP1.37
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide (CID 23912600) is N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide is NC1CCC(NC(=O)C2N(C(=O)c3cc(F)cc(F)c3)CCN2C(=O)C2CC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide?
The InChIKey is DLXRLWBOUUAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O3/c22-14-9-13(10-15(23)11-14)21(30)27-8-7-26(20(29)12-1-2-12)19(27)18(28)25-17-5-3-16(24)4-6-17/h9-12,16-17,19H,1-8,24H2,(H,25,28).
What are the key properties of N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide?
N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23912600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).