4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide

C13H11N5O2 — CID 116852016

IUPAC4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide
SMILESCn1cc(C(N)=O)c(-c2ccc3nc[nH]c3c2)nc1=O
InChIInChI=1S/C13H11N5O2/c1-18-5-8(12(14)19)11(17-13(18)20)7-2-3-9-10(4-7)16-6-15-9/h2-6H,1H3,(H2,14,19)(H,15,16)
InChIKeyVBURNGSOEUBOOO-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.42
Rot. Bonds2

About 4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide

4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide (PubChem CID 116852016) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide
PubChem CID116852016
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide
SMILESCn1cc(C(N)=O)c(-c2ccc3nc[nH]c3c2)nc1=O
InChIInChI=1S/C13H11N5O2/c1-18-5-8(12(14)19)11(17-13(18)20)7-2-3-9-10(4-7)16-6-15-9/h2-6H,1H3,(H2,14,19)(H,15,16)
InChIKeyVBURNGSOEUBOOO-UHFFFAOYSA-N
XLogP0.42
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide?
The IUPAC name of 4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide (CID 116852016) is 4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide is Cn1cc(C(N)=O)c(-c2ccc3nc[nH]c3c2)nc1=O.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide?
The InChIKey is VBURNGSOEUBOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-18-5-8(12(14)19)11(17-13(18)20)7-2-3-9-10(4-7)16-6-15-9/h2-6H,1H3,(H2,14,19)(H,15,16).
What are the key properties of 4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide?
4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 116852016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).