1,3-dimethyl-2-oxobenzimidazole-5-carboxamide

C10H11N3O2 — CID 1091852

IUPAC1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
SMILESCn1c(=O)n(C)c2cc(C(N)=O)ccc21
InChIInChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)
InChIKeyBRBLVCVSNVSPMT-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.02
Rot. Bonds1

About 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide

1,3-dimethyl-2-oxobenzimidazole-5-carboxamide (PubChem CID 1091852) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
PubChem CID1091852
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
SMILESCn1c(=O)n(C)c2cc(C(N)=O)ccc21
InChIInChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)
InChIKeyBRBLVCVSNVSPMT-UHFFFAOYSA-N
XLogP-0.02
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide (CID 1091852) is 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide is Cn1c(=O)n(C)c2cc(C(N)=O)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
The InChIKey is BRBLVCVSNVSPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14).
What are the key properties of 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide?
1,3-dimethyl-2-oxobenzimidazole-5-carboxamide has a molecular weight of 205.22 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 1091852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).