2-Benzimidazolecarbamic acid
Basic information
- CAS
18538-45-9- Standard SMILES
O=C(O)Nc1nc2ccccc2[nH]1- InChIKey
WEYSQARHSRZNTC-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 2-Benzimidazolecarbamic acid
- IUPAC
- 1H-benzimidazol-2-ylcarbamic acid
- English name
- Carbamic acid, 1H-benzimidazol-2-yl- (9CI)
- Molecular formula
- C8H7N3O2
- Molecular weight
- 177.16008
Names & synonyms
2-BENZIMIDAZOLECARBAMIC ACIDBenzimidazole carbamate2-Benzimidazolylcarbamic acidCarbamic acid, 1H-benzimidazol-2-yl-BRN 09582624N6W49USD5DTXSID30171772BENZIMIDAZOLE-2-CARBAMATE, N-N-1H-BENZIMIDAZOL-2-YLCARBAMIC ACIDCARBAMIC ACID, N-1H-BENZIMIDAZOL-2-YL-RefChem:85546DTXCID2094263
Show more names
BENZIMIDAZOLECARBAMATE(1H-benzoimidazol-2-yl)-carbamic acid
18538-45-91H-benzimidazol-2-ylcarbamic acidN-(1H-1,3-benzodiazol-2-yl)carbamateCarbamic acid, 1H-benzimidazol-2-yl- (9CI)2-benzimidazolecarbamicUNII-4N6W49USD5SCHEMBL204726benzimidazol-2-ylcarbamic acid
Database identifiers
- CAS
18538-45-9- PubChem CID
- 29128
- DTXSID
DTXSID30171772- UNII
- 4N6W49USD5
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 309.07 °C · 309.07°C (rough estimate)
- Density
- 1.3393 · 1.3393 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- form
- Solid
- FDA UNII
- 4 N6W49USD5 · 4N6W49USD5
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…