methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate

C7H11N3O2 — CID 15451257

IUPACmethyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-7(11)9-3-2-6-4-8-5-10-6/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
InChIKeyJKJOKNBLUZSJIB-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.31
Rot. Bonds3

About methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate

methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate (PubChem CID 15451257) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate
PubChem CID15451257
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namemethyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-7(11)9-3-2-6-4-8-5-10-6/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
InChIKeyJKJOKNBLUZSJIB-UHFFFAOYSA-N
XLogP0.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate (CID 15451257) is methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate is COC(=O)NCCc1cnc[nH]1.
What is the InChIKey of methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate?
The InChIKey is JKJOKNBLUZSJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-7(11)9-3-2-6-4-8-5-10-6/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11).
What are the key properties of methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate?
methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate has a molecular weight of 169.18 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 15451257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).