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

C18H17N3O2 — CID 164618765

IUPAC(2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C18H17N3O2/c22-18(20-16-9-5-2-6-10-16)23-17(13-21-12-11-19-14-21)15-7-3-1-4-8-15/h1-12,14,17H,13H2,(H,20,22)
InChIKeyPDLPVSUZCNSDBP-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.87
Rot. Bonds5

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

(2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate (PubChem CID 164618765) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate.

Molecular Properties

Compound Name(2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate
PubChem CID164618765
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C18H17N3O2/c22-18(20-16-9-5-2-6-10-16)23-17(13-21-12-11-19-14-21)15-7-3-1-4-8-15/h1-12,14,17H,13H2,(H,20,22)
InChIKeyPDLPVSUZCNSDBP-UHFFFAOYSA-N
XLogP3.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

(2-imidazol-1-yl-1-phenylethyl) acetate
CID 3242727
O-[(1R)-2-imidazol-1-yl-1-phenylethyl] methanethioate
CID 22798678
9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one
CID 142869426
benzhydryl 2-imidazol-1-ylacetate
CID 3678349
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
(3-imidazol-1-yl-1-phenylpropyl) 4-aminobenzoate
CID 56837881
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
(2-imidazol-1-yl-1-naphthalen-2-ylethyl) 2-methylbutanoate
CID 176730718

Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate?
The IUPAC name of (2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate (CID 164618765) is (2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate.
What is the SMILES notation for (2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate?
The canonical SMILES for (2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate is O=C(Nc1ccccc1)OC(Cn1ccnc1)c1ccccc1.
What is the InChIKey of (2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate?
The InChIKey is PDLPVSUZCNSDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(20-16-9-5-2-6-10-16)23-17(13-21-12-11-19-14-21)15-7-3-1-4-8-15/h1-12,14,17H,13H2,(H,20,22).
What are the key properties of (2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate?
(2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate has a molecular weight of 307.35 g/mol, XLogP of 3.87, 5 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-phenylcarbamate is sourced from PubChem (CID 164618765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).