5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol

C22H24N2O — CID 143152975

IUPAC5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol
SMILESCN1CCN=C1C1=CC=CC(O)C1CCc1cccc2ccccc12
InChIInChI=1S/C22H24N2O/c1-24-15-14-23-22(24)20-10-5-11-21(25)19(20)13-12-17-8-4-7-16-6-2-3-9-18(16)17/h2-11,19,21,25H,12-15H2,1H3
InChIKeyBNVDIHWRAVYLLO-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.59
Rot. Bonds4

About 5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol

5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 143152975) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol
PubChem CID143152975
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol
SMILESCN1CCN=C1C1=CC=CC(O)C1CCc1cccc2ccccc12
InChIInChI=1S/C22H24N2O/c1-24-15-14-23-22(24)20-10-5-11-21(25)19(20)13-12-17-8-4-7-16-6-2-3-9-18(16)17/h2-11,19,21,25H,12-15H2,1H3
InChIKeyBNVDIHWRAVYLLO-UHFFFAOYSA-N
XLogP3.59
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol (CID 143152975) is 5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol is CN1CCN=C1C1=CC=CC(O)C1CCc1cccc2ccccc12.
What is the InChIKey of 5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is BNVDIHWRAVYLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-24-15-14-23-22(24)20-10-5-11-21(25)19(20)13-12-17-8-4-7-16-6-2-3-9-18(16)17/h2-11,19,21,25H,12-15H2,1H3.
What are the key properties of 5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol?
5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 332.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 143152975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).