tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate

C15H19N3O2 — CID 67263638

IUPACtert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate
SMILESCn1ccnc1-c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)17-12-8-6-5-7-11(12)13-16-9-10-18(13)4/h5-10H,1-4H3,(H,17,19)
InChIKeyBBPMGHGGGWKRPY-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.43
Rot. Bonds2

About tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate

tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate (PubChem CID 67263638) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate
PubChem CID67263638
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nametert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate
SMILESCn1ccnc1-c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)17-12-8-6-5-7-11(12)13-16-9-10-18(13)4/h5-10H,1-4H3,(H,17,19)
InChIKeyBBPMGHGGGWKRPY-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate (CID 67263638) is tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate is Cn1ccnc1-c1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate?
The InChIKey is BBPMGHGGGWKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)20-14(19)17-12-8-6-5-7-11(12)13-16-9-10-18(13)4/h5-10H,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate?
tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate has a molecular weight of 273.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate is sourced from PubChem (CID 67263638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).