N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide

C12H15N3O2 — CID 1091856

IUPACN,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C12H15N3O2/c1-13(2)11(16)8-5-6-9-10(7-8)15(4)12(17)14(9)3/h5-7H,1-4H3
InChIKeyCZDWUAXLIOVQQH-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.58
Rot. Bonds1

About N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide

N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide (PubChem CID 1091856) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide
PubChem CID1091856
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C12H15N3O2/c1-13(2)11(16)8-5-6-9-10(7-8)15(4)12(17)14(9)3/h5-7H,1-4H3
InChIKeyCZDWUAXLIOVQQH-UHFFFAOYSA-N
XLogP0.58
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,1,3-tetramethyl-2-oxobenzimidazole-5-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 N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide (CID 1091856) is N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide is CN(C)C(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide?
The InChIKey is CZDWUAXLIOVQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-13(2)11(16)8-5-6-9-10(7-8)15(4)12(17)14(9)3/h5-7H,1-4H3.
What are the key properties of N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide?
N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 1091856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).