2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate

C19H17N3O7 — CID 138679261

IUPAC2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)C(=O)O.COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H13N3O3.C3H4O4/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10;1-7-3(6)2(4)5/h2-9H,1H3,(H2,17,18,19,21);1H3,(H,4,5)
InChIKeyOFKYJMIAGRIJDT-UHFFFAOYSA-N
MW399.36 g/mol
LogP2.22
Rot. Bonds3

About 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate

2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 138679261) has the molecular formula C19H17N3O7 and a molecular weight of 399.36 g/mol. Its IUPAC name is 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Name2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
PubChem CID138679261
Molecular FormulaC19H17N3O7
Molecular Weight399.36 g/mol
Exact Mass399.11
IUPAC Name2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)C(=O)O.COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H13N3O3.C3H4O4/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10;1-7-3(6)2(4)5/h2-9H,1H3,(H2,17,18,19,21);1H3,(H,4,5)
InChIKeyOFKYJMIAGRIJDT-UHFFFAOYSA-N
XLogP2.22
TPSA147.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate
CID 67044728
methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate
CID 118728666
methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
CID 23190345
methyl N-[6-[2-[(5-bromo-2-methylphenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 90833199
prop-2-enoyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 10334341
methyl N-[6-[2-[(3-methoxyphenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 91428587
methyl N-[6-[2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 90879930
ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
CID 14740805
methyl N-[6-(2-methylphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 70629928
methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate
CID 169450802
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate (CID 138679261) is 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate is COC(=O)C(=O)O.COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is OFKYJMIAGRIJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3.C3H4O4/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10;1-7-3(6)2(4)5/h2-9H,1H3,(H2,17,18,19,21);1H3,(H,4,5).
What are the key properties of 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate?
2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 399.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 138679261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).