4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide

C12H9N5O2 — CID 116904054

IUPAC4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide
SMILESNC(=O)c1nccc(-c2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C12H9N5O2/c13-10(18)11-14-4-3-7(15-11)6-1-2-8-9(5-6)17-12(19)16-8/h1-5H,(H2,13,18)(H2,16,17,19)
InChIKeySPKPSBFRJOSPGU-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.41
Rot. Bonds2

About 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide

4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide (PubChem CID 116904054) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide
PubChem CID116904054
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide
SMILESNC(=O)c1nccc(-c2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C12H9N5O2/c13-10(18)11-14-4-3-7(15-11)6-1-2-8-9(5-6)17-12(19)16-8/h1-5H,(H2,13,18)(H2,16,17,19)
InChIKeySPKPSBFRJOSPGU-UHFFFAOYSA-N
XLogP0.41
TPSA117.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide 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-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide?
The IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide (CID 116904054) is 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide is NC(=O)c1nccc(-c2ccc3[nH]c(=O)[nH]c3c2)n1.
What is the InChIKey of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide?
The InChIKey is SPKPSBFRJOSPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c13-10(18)11-14-4-3-7(15-11)6-1-2-8-9(5-6)17-12(19)16-8/h1-5H,(H2,13,18)(H2,16,17,19).
What are the key properties of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide?
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 116904054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).