N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide

C11H14N4O — CID 59522615

IUPACN,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2nc(NC)[nH]c2cc1C
InChIInChI=1S/C11H14N4O/c1-6-4-8-9(15-11(13-3)14-8)5-7(6)10(16)12-2/h4-5H,1-3H3,(H,12,16)(H2,13,14,15)
InChIKeyYWUCWGLJOZDMTN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.27
Rot. Bonds2

About N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide

N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide (PubChem CID 59522615) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide
PubChem CID59522615
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2nc(NC)[nH]c2cc1C
InChIInChI=1S/C11H14N4O/c1-6-4-8-9(15-11(13-3)14-8)5-7(6)10(16)12-2/h4-5H,1-3H3,(H,12,16)(H2,13,14,15)
InChIKeyYWUCWGLJOZDMTN-UHFFFAOYSA-N
XLogP1.27
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide?
The IUPAC name of N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide (CID 59522615) is N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide is CNC(=O)c1cc2nc(NC)[nH]c2cc1C.
What is the InChIKey of N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide?
The InChIKey is YWUCWGLJOZDMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-6-4-8-9(15-11(13-3)14-8)5-7(6)10(16)12-2/h4-5H,1-3H3,(H,12,16)(H2,13,14,15).
What are the key properties of N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide?
N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 59522615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).