methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

C13H17N3O3 — CID 22756528

IUPACmethyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCCOc1ccccc1C1CN=C(NC(=O)OC)N1
InChIInChI=1S/C13H17N3O3/c1-3-19-11-7-5-4-6-9(11)10-8-14-12(15-10)16-13(17)18-2/h4-7,10H,3,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyAUNRPCRRCFPQJS-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.44
Rot. Bonds3

About methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (PubChem CID 22756528) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
PubChem CID22756528
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCCOc1ccccc1C1CN=C(NC(=O)OC)N1
InChIInChI=1S/C13H17N3O3/c1-3-19-11-7-5-4-6-9(11)10-8-14-12(15-10)16-13(17)18-2/h4-7,10H,3,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyAUNRPCRRCFPQJS-UHFFFAOYSA-N
XLogP1.44
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (CID 22756528) is methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is CCOc1ccccc1C1CN=C(NC(=O)OC)N1.
What is the InChIKey of methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The InChIKey is AUNRPCRRCFPQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-19-11-7-5-4-6-9(11)10-8-14-12(15-10)16-13(17)18-2/h4-7,10H,3,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate has a molecular weight of 263.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is sourced from PubChem (CID 22756528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).