2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid

C9H9N3O3 — CID 68790453

IUPAC2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid
SMILESNC(=O)C1(C(=O)O)Nc2ccccc2N1
InChIInChI=1S/C9H9N3O3/c10-7(13)9(8(14)15)11-5-3-1-2-4-6(5)12-9/h1-4,11-12H,(H2,10,13)(H,14,15)
InChIKeyZENLPKMZXVHIQY-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.21
Rot. Bonds2

About 2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid

2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid (PubChem CID 68790453) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid
PubChem CID68790453
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid
SMILESNC(=O)C1(C(=O)O)Nc2ccccc2N1
InChIInChI=1S/C9H9N3O3/c10-7(13)9(8(14)15)11-5-3-1-2-4-6(5)12-9/h1-4,11-12H,(H2,10,13)(H,14,15)
InChIKeyZENLPKMZXVHIQY-UHFFFAOYSA-N
XLogP-0.21
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide
CID 151760838
2-chloro-1,3-dihydroindole-2-carboxylic acid
CID 57188520
2,3,3-trimethyl-1H-indole-2-carboxamide
CID 169059074
2-(2,4-dihydroxyphenyl)-1,3-dihydrobenzimidazole-2-carboxylic acid
CID 150501313
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
CID 140737605
[2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate
CID 123541413
benzene-1,2-diamine;carbonic acid
CID 22256139
carbamic acid;naphthalene
CID 162082147
phenylsulfanylbenzene;urea
CID 161199097
anthracene-9,10-dione;carbamic acid
CID 70556478
2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid
CID 175545746
4-amino-2-ethyl-1H-quinoline-2-carboxylic acid
CID 66747501

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid?
The IUPAC name of 2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid (CID 68790453) is 2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid?
The canonical SMILES for 2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid is NC(=O)C1(C(=O)O)Nc2ccccc2N1.
What is the InChIKey of 2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid?
The InChIKey is ZENLPKMZXVHIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c10-7(13)9(8(14)15)11-5-3-1-2-4-6(5)12-9/h1-4,11-12H,(H2,10,13)(H,14,15).
What are the key properties of 2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid?
2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of -0.21, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid is sourced from PubChem (CID 68790453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).