4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one

C8H7N3O2 — CID 70092281

IUPAC4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1ccc[nH]1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H7N3O2/c12-7(5-2-1-3-9-5)6-4-10-8(13)11-6/h1-4,9H,(H2,10,11,13)
InChIKeyISMLNWBBCCYUTA-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.26
Rot. Bonds2

About 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one

4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 70092281) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID70092281
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1ccc[nH]1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H7N3O2/c12-7(5-2-1-3-9-5)6-4-10-8(13)11-6/h1-4,9H,(H2,10,11,13)
InChIKeyISMLNWBBCCYUTA-UHFFFAOYSA-N
XLogP0.26
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one (CID 70092281) is 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one is O=C(c1ccc[nH]1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is ISMLNWBBCCYUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-7(5-2-1-3-9-5)6-4-10-8(13)11-6/h1-4,9H,(H2,10,11,13).
What are the key properties of 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one?
4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 177.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrole-2-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 70092281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).