(5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate

C7H11N3O2 — CID 13236491

IUPAC(5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc[nH]c1C
InChIInChI=1S/C7H11N3O2/c1-5-6(10-4-9-5)3-12-7(11)8-2/h4H,3H2,1-2H3,(H,8,11)(H,9,10)
InChIKeyWNDQPKIYIFNJOU-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.57
Rot. Bonds2

About (5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate

(5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate (PubChem CID 13236491) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate
PubChem CID13236491
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc[nH]c1C
InChIInChI=1S/C7H11N3O2/c1-5-6(10-4-9-5)3-12-7(11)8-2/h4H,3H2,1-2H3,(H,8,11)(H,9,10)
InChIKeyWNDQPKIYIFNJOU-UHFFFAOYSA-N
XLogP0.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate?
The IUPAC name of (5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate (CID 13236491) is (5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate.
What is the SMILES notation for (5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate?
The canonical SMILES for (5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate is CNC(=O)OCc1nc[nH]c1C.
What is the InChIKey of (5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate?
The InChIKey is WNDQPKIYIFNJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-6(10-4-9-5)3-12-7(11)8-2/h4H,3H2,1-2H3,(H,8,11)(H,9,10).
What are the key properties of (5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate?
(5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate has a molecular weight of 169.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-4-yl)methyl N-methylcarbamate is sourced from PubChem (CID 13236491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).