(2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate

C19H19N3O2 — CID 164610409

IUPAC(2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c23-19(21-13-16-7-3-1-4-8-16)24-18(14-22-12-11-20-15-22)17-9-5-2-6-10-17/h1-12,15,18H,13-14H2,(H,21,23)
InChIKeyFSUHJNDEKITYFZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.55
Rot. Bonds6

About (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate

(2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate (PubChem CID 164610409) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate.

Molecular Properties

Compound Name(2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate
PubChem CID164610409
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c23-19(21-13-16-7-3-1-4-8-16)24-18(14-22-12-11-20-15-22)17-9-5-2-6-10-17/h1-12,15,18H,13-14H2,(H,21,23)
InChIKeyFSUHJNDEKITYFZ-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate 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 (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate?
The IUPAC name of (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate (CID 164610409) is (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate.
What is the SMILES notation for (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate?
The canonical SMILES for (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate is O=C(NCc1ccccc1)OC(Cn1ccnc1)c1ccccc1.
What is the InChIKey of (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate?
The InChIKey is FSUHJNDEKITYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(21-13-16-7-3-1-4-8-16)24-18(14-22-12-11-20-15-22)17-9-5-2-6-10-17/h1-12,15,18H,13-14H2,(H,21,23).
What are the key properties of (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate?
(2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate has a molecular weight of 321.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-yl-1-phenylethyl) N-benzylcarbamate is sourced from PubChem (CID 164610409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).