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

C18H18N4O3 — CID 122140217

IUPACN-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3ccc[nH]3)c2)C1=O
InChIInChI=1S/C18H18N4O3/c1-18(11-7-8-11)16(24)22(17(25)21-18)13-5-2-4-12(10-13)20-15(23)14-6-3-9-19-14/h2-6,9-11,19H,7-8H2,1H3,(H,20,23)(H,21,25)
InChIKeyWAHFELZWSGOSLC-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.49
Rot. Bonds4

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

N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 122140217) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID122140217
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3ccc[nH]3)c2)C1=O
InChIInChI=1S/C18H18N4O3/c1-18(11-7-8-11)16(24)22(17(25)21-18)13-5-2-4-12(10-13)20-15(23)14-6-3-9-19-14/h2-6,9-11,19H,7-8H2,1H3,(H,20,23)(H,21,25)
InChIKeyWAHFELZWSGOSLC-UHFFFAOYSA-N
XLogP2.49
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide (CID 122140217) is N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide is CC1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3ccc[nH]3)c2)C1=O.
What is the InChIKey of N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WAHFELZWSGOSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-18(11-7-8-11)16(24)22(17(25)21-18)13-5-2-4-12(10-13)20-15(23)14-6-3-9-19-14/h2-6,9-11,19H,7-8H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide?
N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122140217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).