[4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate

C18H17N3O2 — CID 23368213

IUPAC[4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C18H17N3O2/c22-18(21-16-4-2-1-3-5-16)23-12-15-8-6-14(7-9-15)10-17-11-19-13-20-17/h1-9,11,13H,10,12H2,(H,19,20)(H,21,22)
InChIKeyWGVIWRHHBAGVLQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.75
Rot. Bonds5

About [4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate

[4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate (PubChem CID 23368213) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is [4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate
PubChem CID23368213
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name[4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C18H17N3O2/c22-18(21-16-4-2-1-3-5-16)23-12-15-8-6-14(7-9-15)10-17-11-19-13-20-17/h1-9,11,13H,10,12H2,(H,19,20)(H,21,22)
InChIKeyWGVIWRHHBAGVLQ-UHFFFAOYSA-N
XLogP3.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(1H-imidazol-5-ylmethyl)phenyl]methyl 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

4-(1H-imidazol-5-ylmethoxycarbonylamino)benzoic acid
CID 141007132
(2R)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 736161
benzyl (2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 7015073
benzyl N-[1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]carbamate
CID 18385467
benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate
CID 103393516
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
methyl (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
CID 51404153
methyl (2R)-3-(1H-imidazol-5-yl)-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 12807326
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-[(2S)-1-[[(2S)-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 54208695
benzyl N-[(2S)-1-[[2-(1H-imidazol-5-yl)acetyl]amino]-1-oxopropan-2-yl]carbamate
CID 70392136
(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate
CID 171824215

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate?
The IUPAC name of [4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate (CID 23368213) is [4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate.
What is the SMILES notation for [4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate?
The canonical SMILES for [4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate is O=C(Nc1ccccc1)OCc1ccc(Cc2cnc[nH]2)cc1.
What is the InChIKey of [4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate?
The InChIKey is WGVIWRHHBAGVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(21-16-4-2-1-3-5-16)23-12-15-8-6-14(7-9-15)10-17-11-19-13-20-17/h1-9,11,13H,10,12H2,(H,19,20)(H,21,22).
What are the key properties of [4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate?
[4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate has a molecular weight of 307.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-5-ylmethyl)phenyl]methyl N-phenylcarbamate is sourced from PubChem (CID 23368213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).