2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate

C14H19N3O2 — CID 22756555

IUPAC2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate
SMILESCC(C)COC(=O)NC1=NCC(c2ccccc2)N1
InChIInChI=1S/C14H19N3O2/c1-10(2)9-19-14(18)17-13-15-8-12(16-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyRWLVSRXXLIFXEG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.07
Rot. Bonds3

About 2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate

2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate (PubChem CID 22756555) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate
PubChem CID22756555
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate
SMILESCC(C)COC(=O)NC1=NCC(c2ccccc2)N1
InChIInChI=1S/C14H19N3O2/c1-10(2)9-19-14(18)17-13-15-8-12(16-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyRWLVSRXXLIFXEG-UHFFFAOYSA-N
XLogP2.07
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate (CID 22756555) is 2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate is CC(C)COC(=O)NC1=NCC(c2ccccc2)N1.
What is the InChIKey of 2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate?
The InChIKey is RWLVSRXXLIFXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)9-19-14(18)17-13-15-8-12(16-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate?
2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate has a molecular weight of 261.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate is sourced from PubChem (CID 22756555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).