N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide

C11H13N3O2 — CID 86665700

IUPACN-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
SMILESCON(C)C(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C11H13N3O2/c1-13-7-12-9-6-8(4-5-10(9)13)11(15)14(2)16-3/h4-7H,1-3H3
InChIKeyGUFMXEAHLJLKNT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.21
Rot. Bonds2

About N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide

N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide (PubChem CID 86665700) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
PubChem CID86665700
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
SMILESCON(C)C(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C11H13N3O2/c1-13-7-12-9-6-8(4-5-10(9)13)11(15)14(2)16-3/h4-7H,1-3H3
InChIKeyGUFMXEAHLJLKNT-UHFFFAOYSA-N
XLogP1.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide (CID 86665700) is N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide is CON(C)C(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide?
The InChIKey is GUFMXEAHLJLKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13-7-12-9-6-8(4-5-10(9)13)11(15)14(2)16-3/h4-7H,1-3H3.
What are the key properties of N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide?
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 86665700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).