methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate

C12H14N4O3 — CID 18948025

IUPACmethyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate
SMILESCNC(=O)n1c(NC(=O)OC)nc2cc(C)ccc21
InChIInChI=1S/C12H14N4O3/c1-7-4-5-9-8(6-7)14-10(15-12(18)19-3)16(9)11(17)13-2/h4-6H,1-3H3,(H,13,17)(H,14,15,18)
InChIKeyFXNTUSAHIWFXOT-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.71
Rot. Bonds1

About methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate

methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate (PubChem CID 18948025) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate
PubChem CID18948025
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Namemethyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate
SMILESCNC(=O)n1c(NC(=O)OC)nc2cc(C)ccc21
InChIInChI=1S/C12H14N4O3/c1-7-4-5-9-8(6-7)14-10(15-12(18)19-3)16(9)11(17)13-2/h4-6H,1-3H3,(H,13,17)(H,14,15,18)
InChIKeyFXNTUSAHIWFXOT-UHFFFAOYSA-N
XLogP1.71
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate (CID 18948025) is methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate is CNC(=O)n1c(NC(=O)OC)nc2cc(C)ccc21.
What is the InChIKey of methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate?
The InChIKey is FXNTUSAHIWFXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-4-5-9-8(6-7)14-10(15-12(18)19-3)16(9)11(17)13-2/h4-6H,1-3H3,(H,13,17)(H,14,15,18).
What are the key properties of methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate?
methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate has a molecular weight of 262.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-methyl-1-(methylcarbamoyl)benzimidazol-2-yl]carbamate is sourced from PubChem (CID 18948025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).