6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid

C12H13N3O4 — CID 86613186

IUPAC6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid
SMILESCc1nc2c(O)cc(C(=O)N(C)C)cc2n1C(=O)O
InChIInChI=1S/C12H13N3O4/c1-6-13-10-8(15(6)12(18)19)4-7(5-9(10)16)11(17)14(2)3/h4-5,16H,1-3H3,(H,18,19)
InChIKeyZATODPPHZILTBK-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.28
Rot. Bonds1

About 6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid

6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid (PubChem CID 86613186) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid
PubChem CID86613186
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid
SMILESCc1nc2c(O)cc(C(=O)N(C)C)cc2n1C(=O)O
InChIInChI=1S/C12H13N3O4/c1-6-13-10-8(15(6)12(18)19)4-7(5-9(10)16)11(17)14(2)3/h4-5,16H,1-3H3,(H,18,19)
InChIKeyZATODPPHZILTBK-UHFFFAOYSA-N
XLogP1.28
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 67220315
5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 70359048
3,5-dihydroxy-N,N-dimethylbenzamide
CID 103893165
ethanol;8-hydroxy-N,N,2-trimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 69434624
tris(3-acetyl-N,N,5-trimethylbenzamide);3-(dimethylcarbamoyl)-5-methylbenzoic acid
CID 158680105
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide
CID 82372452
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
3-(dimethylcarbamoyl)-5-methylsulfonylbenzoic acid
CID 58802566
6-chloro-N,N,2',3'-tetramethylspiro[1,2-dihydroindene-3,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
CID 24998281
7-[(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)amino]-N,N,2,3-tetramethylbenzimidazole-5-carboxamide
CID 25024510
N,N,6,8-tetramethylquinoline-3-carboxamide
CID 10561334

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid?
The IUPAC name of 6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid (CID 86613186) is 6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid.
What is the SMILES notation for 6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid?
The canonical SMILES for 6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid is Cc1nc2c(O)cc(C(=O)N(C)C)cc2n1C(=O)O.
What is the InChIKey of 6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid?
The InChIKey is ZATODPPHZILTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-6-13-10-8(15(6)12(18)19)4-7(5-9(10)16)11(17)14(2)3/h4-5,16H,1-3H3,(H,18,19).
What are the key properties of 6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid?
6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylcarbamoyl)-4-hydroxy-2-methylbenzimidazole-1-carboxylic acid is sourced from PubChem (CID 86613186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).