methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate

C12H15N3O2 — CID 23274511

IUPACmethyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate
SMILESCOC(=O)NC1=NCC(c2ccccc2)N1C
InChIInChI=1S/C12H15N3O2/c1-15-10(9-6-4-3-5-7-9)8-13-11(15)14-12(16)17-2/h3-7,10H,8H2,1-2H3,(H,13,14,16)
InChIKeySAYAMCOWJNUODI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.39
Rot. Bonds1

About methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate

methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate (PubChem CID 23274511) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate
PubChem CID23274511
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate
SMILESCOC(=O)NC1=NCC(c2ccccc2)N1C
InChIInChI=1S/C12H15N3O2/c1-15-10(9-6-4-3-5-7-9)8-13-11(15)14-12(16)17-2/h3-7,10H,8H2,1-2H3,(H,13,14,16)
InChIKeySAYAMCOWJNUODI-UHFFFAOYSA-N
XLogP1.39
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate (CID 23274511) is methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate is COC(=O)NC1=NCC(c2ccccc2)N1C.
What is the InChIKey of methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate?
The InChIKey is SAYAMCOWJNUODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-10(9-6-4-3-5-7-9)8-13-11(15)14-12(16)17-2/h3-7,10H,8H2,1-2H3,(H,13,14,16).
What are the key properties of methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate?
methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate has a molecular weight of 233.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methyl-5-phenyl-4,5-dihydroimidazol-2-yl)carbamate is sourced from PubChem (CID 23274511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).