4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol

C22H23N3O — CID 16682608

IUPAC4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
SMILESNC1=NC[C@H](Cc2ccc(O)cc2)N1CCc1cccc2ccccc12
InChIInChI=1S/C22H23N3O/c23-22-24-15-19(14-16-8-10-20(26)11-9-16)25(22)13-12-18-6-3-5-17-4-1-2-7-21(17)18/h1-11,19,26H,12-15H2,(H2,23,24)/t19-/m0/s1
InChIKeyPZECGPMKEVSTQM-IBGZPJMESA-N
MW345.45 g/mol
LogP3.33
Rot. Bonds5

About 4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol

4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol (PubChem CID 16682608) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
PubChem CID16682608
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
SMILESNC1=NC[C@H](Cc2ccc(O)cc2)N1CCc1cccc2ccccc12
InChIInChI=1S/C22H23N3O/c23-22-24-15-19(14-16-8-10-20(26)11-9-16)25(22)13-12-18-6-3-5-17-4-1-2-7-21(17)18/h1-11,19,26H,12-15H2,(H2,23,24)/t19-/m0/s1
InChIKeyPZECGPMKEVSTQM-IBGZPJMESA-N
XLogP3.33
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
The IUPAC name of 4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol (CID 16682608) is 4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol.
What is the SMILES notation for 4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
The canonical SMILES for 4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol is NC1=NC[C@H](Cc2ccc(O)cc2)N1CCc1cccc2ccccc12.
What is the InChIKey of 4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
The InChIKey is PZECGPMKEVSTQM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O/c23-22-24-15-19(14-16-8-10-20(26)11-9-16)25(22)13-12-18-6-3-5-17-4-1-2-7-21(17)18/h1-11,19,26H,12-15H2,(H2,23,24)/t19-/m0/s1.
What are the key properties of 4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol?
4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol has a molecular weight of 345.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-2-amino-3-(2-naphthalen-1-ylethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol is sourced from PubChem (CID 16682608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).