[methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate

C11H11N3O4 — CID 154321828

IUPAC[methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate
SMILESCON(C)C(=O)OC(=O)n1cnc2ccccc21
InChIInChI=1S/C11H11N3O4/c1-13(17-2)10(15)18-11(16)14-7-12-8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyPGZMOTRSQGRBIY-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.63
Rot. Bonds1

About [methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate

[methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate (PubChem CID 154321828) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is [methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate.

Molecular Properties

Compound Name[methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate
PubChem CID154321828
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name[methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate
SMILESCON(C)C(=O)OC(=O)n1cnc2ccccc21
InChIInChI=1S/C11H11N3O4/c1-13(17-2)10(15)18-11(16)14-7-12-8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyPGZMOTRSQGRBIY-UHFFFAOYSA-N
XLogP1.63
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bromomethyl benzimidazole-1-carboxylate
CID 135347541
N-butyl-N-methylbenzimidazole-1-carboxamide
CID 170699007
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate
CID 175850253
1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 3253388
N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide
CID 170698971
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
(4-nitrophenyl) benzimidazole-1-carboxylate
CID 139898863
ethyl 3,3-bis(benzimidazol-1-yl)prop-2-enoate
CID 15564125
benzimidazol-1-yl(indazol-1-yl)methanone
CID 67255465
1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
N-phenylbenzimidazole-1-carboxamide
CID 13125705

Frequently Asked Questions

What is the IUPAC name of [methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate?
The IUPAC name of [methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate (CID 154321828) is [methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate.
What is the SMILES notation for [methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate?
The canonical SMILES for [methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate is CON(C)C(=O)OC(=O)n1cnc2ccccc21.
What is the InChIKey of [methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate?
The InChIKey is PGZMOTRSQGRBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-13(17-2)10(15)18-11(16)14-7-12-8-5-3-4-6-9(8)14/h3-7H,1-2H3.
What are the key properties of [methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate?
[methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate has a molecular weight of 249.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate is sourced from PubChem (CID 154321828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).