N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide

C18H20N6O3 — CID 125161410

IUPACN-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
SMILESCCn1ncnc1[C@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)C1CC1
InChIInChI=1S/C18H20N6O3/c1-2-24-16(19-10-20-24)15(11-3-4-11)22-17(26)12-5-7-13(8-6-12)23-9-14(25)21-18(23)27/h5-8,10-11,15H,2-4,9H2,1H3,(H,22,26)(H,21,25,27)/t15-/m1/s1
InChIKeyFYTUHSHLEPLDCA-OAHLLOKOSA-N
MW368.40 g/mol
LogP1.24
Rot. Bonds6

About N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide

N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide (PubChem CID 125161410) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
PubChem CID125161410
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
SMILESCCn1ncnc1[C@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)C1CC1
InChIInChI=1S/C18H20N6O3/c1-2-24-16(19-10-20-24)15(11-3-4-11)22-17(26)12-5-7-13(8-6-12)23-9-14(25)21-18(23)27/h5-8,10-11,15H,2-4,9H2,1H3,(H,22,26)(H,21,25,27)/t15-/m1/s1
InChIKeyFYTUHSHLEPLDCA-OAHLLOKOSA-N
XLogP1.24
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 125161407
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 118778831
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50952833
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 126442842
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
CID 118793931
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylbenzamide
CID 91794119
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide
CID 124753495
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91828880
3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 126427323
2-amino-N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 126454113
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 91796045
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 126446578

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide (CID 125161410) is N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide is CCn1ncnc1[C@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)C1CC1.
What is the InChIKey of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
The InChIKey is FYTUHSHLEPLDCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-2-24-16(19-10-20-24)15(11-3-4-11)22-17(26)12-5-7-13(8-6-12)23-9-14(25)21-18(23)27/h5-8,10-11,15H,2-4,9H2,1H3,(H,22,26)(H,21,25,27)/t15-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide?
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide has a molecular weight of 368.40 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 125161410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).