tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate

C19H27N3O3 — CID 86625175

IUPACtert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate
SMILESCC(C)(CCn1cnc(-c2ccc(O)cc2)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H27N3O3/c1-18(2,3)25-17(24)21-19(4,5)10-11-22-12-16(20-13-22)14-6-8-15(23)9-7-14/h6-9,12-13,23H,10-11H2,1-5H3,(H,21,24)
InChIKeyKNZOJGXDIWWQMP-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.95
Rot. Bonds5

About tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate

tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate (PubChem CID 86625175) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate
PubChem CID86625175
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate
SMILESCC(C)(CCn1cnc(-c2ccc(O)cc2)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H27N3O3/c1-18(2,3)25-17(24)21-19(4,5)10-11-22-12-16(20-13-22)14-6-8-15(23)9-7-14/h6-9,12-13,23H,10-11H2,1-5H3,(H,21,24)
InChIKeyKNZOJGXDIWWQMP-UHFFFAOYSA-N
XLogP3.95
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate (CID 86625175) is tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate is CC(C)(CCn1cnc(-c2ccc(O)cc2)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate?
The InChIKey is KNZOJGXDIWWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-18(2,3)25-17(24)21-19(4,5)10-11-22-12-16(20-13-22)14-6-8-15(23)9-7-14/h6-9,12-13,23H,10-11H2,1-5H3,(H,21,24).
What are the key properties of tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate?
tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate has a molecular weight of 345.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(4-hydroxyphenyl)imidazol-1-yl]-2-methylbutan-2-yl]carbamate is sourced from PubChem (CID 86625175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).