2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid

C10H9N3O4 — CID 13043986

IUPAC2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
SMILESCOC(=O)Nc1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C10H9N3O4/c1-17-10(16)13-9-11-6-3-2-5(8(14)15)4-7(6)12-9/h2-4H,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyGIGRDSFULBVHHT-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.44
Rot. Bonds2

About 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid

2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid (PubChem CID 13043986) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
PubChem CID13043986
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
SMILESCOC(=O)Nc1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C10H9N3O4/c1-17-10(16)13-9-11-6-3-2-5(8(14)15)4-7(6)12-9/h2-4H,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyGIGRDSFULBVHHT-UHFFFAOYSA-N
XLogP1.44
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid (CID 13043986) is 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid is COC(=O)Nc1nc2ccc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is GIGRDSFULBVHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-17-10(16)13-9-11-6-3-2-5(8(14)15)4-7(6)12-9/h2-4H,1H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid?
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 13043986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).