9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate

C27H23N3O2 — CID 169470793

IUPAC9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(-n2ccnc2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23N3O2/c31-27(29-15-5-6-20-11-13-21(14-12-20)30-17-16-28-19-30)32-18-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26/h1-14,16-17,19,26H,15,18H2,(H,29,31)
InChIKeySUXQEMKTOQLMPV-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.42
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate (PubChem CID 169470793) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate
PubChem CID169470793
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(-n2ccnc2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23N3O2/c31-27(29-15-5-6-20-11-13-21(14-12-20)30-17-16-28-19-30)32-18-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26/h1-14,16-17,19,26H,15,18H2,(H,29,31)
InChIKeySUXQEMKTOQLMPV-UHFFFAOYSA-N
XLogP5.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate 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

9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate
CID 169470287
9H-fluoren-9-ylmethyl N-[3-[4-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
CID 169469471
9H-fluoren-9-ylmethyl N-(3-pyridin-3-ylprop-2-enyl)carbamate
CID 169468939
9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate
CID 169470346
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169469145
9H-fluoren-9-ylmethyl N-[3-(5-formyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469299
9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate
CID 169469747
9H-fluoren-9-ylmethyl N-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl]carbamate
CID 169470124
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenyl]-2-methylpropanoic acid
CID 169470392
methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate
CID 169470427
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydrazinylphenyl)prop-2-enyl]carbamate
CID 169469493

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate (CID 169470793) is 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(-n2ccnc2)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate?
The InChIKey is SUXQEMKTOQLMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c31-27(29-15-5-6-20-11-13-21(14-12-20)30-17-16-28-19-30)32-18-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26/h1-14,16-17,19,26H,15,18H2,(H,29,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate has a molecular weight of 421.50 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).