N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C18H17N7O3 — CID 136572399

IUPACN-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCn1ccnc1C1(CNC(=O)c2cc(-c3ccccc3)n[nH]2)NC(=O)NC1=O
InChIInChI=1S/C18H17N7O3/c1-25-8-7-19-15(25)18(16(27)21-17(28)22-18)10-20-14(26)13-9-12(23-24-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,26)(H,23,24)(H2,21,22,27,28)
InChIKeyDJDNWUVIYVSIHI-UHFFFAOYSA-N
MW379.38 g/mol
LogP0.27
Rot. Bonds5

About N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 136572399) has the molecular formula C18H17N7O3 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID136572399
Molecular FormulaC18H17N7O3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC NameN-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCn1ccnc1C1(CNC(=O)c2cc(-c3ccccc3)n[nH]2)NC(=O)NC1=O
InChIInChI=1S/C18H17N7O3/c1-25-8-7-19-15(25)18(16(27)21-17(28)22-18)10-20-14(26)13-9-12(23-24-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,26)(H,23,24)(H2,21,22,27,28)
InChIKeyDJDNWUVIYVSIHI-UHFFFAOYSA-N
XLogP0.27
TPSA133.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 136572399) is N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is Cn1ccnc1C1(CNC(=O)c2cc(-c3ccccc3)n[nH]2)NC(=O)NC1=O.
What is the InChIKey of N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is DJDNWUVIYVSIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O3/c1-25-8-7-19-15(25)18(16(27)21-17(28)22-18)10-20-14(26)13-9-12(23-24-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,26)(H,23,24)(H2,21,22,27,28).
What are the key properties of N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 0.27, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136572399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).