methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

C12H15N3O2 — CID 22756623

IUPACmethyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2cccc(C)c2)N1
InChIInChI=1S/C12H15N3O2/c1-8-4-3-5-9(6-8)10-7-13-11(14-10)15-12(16)17-2/h3-6,10H,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyOLLVZDTWVNJNSN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.35
Rot. Bonds1

About methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (PubChem CID 22756623) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
PubChem CID22756623
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2cccc(C)c2)N1
InChIInChI=1S/C12H15N3O2/c1-8-4-3-5-9(6-8)10-7-13-11(14-10)15-12(16)17-2/h3-6,10H,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyOLLVZDTWVNJNSN-UHFFFAOYSA-N
XLogP1.35
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (CID 22756623) is methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is COC(=O)NC1=NCC(c2cccc(C)c2)N1.
What is the InChIKey of methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The InChIKey is OLLVZDTWVNJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-4-3-5-9(6-8)10-7-13-11(14-10)15-12(16)17-2/h3-6,10H,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate has a molecular weight of 233.27 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is sourced from PubChem (CID 22756623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).