1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole

C24H26N2O — CID 67901768

IUPAC1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole
SMILESc1ccc(COC2c3cccc4c3C(CCC4)CC2Cn2ccnc2)cc1
InChIInChI=1S/C24H26N2O/c1-2-6-18(7-3-1)16-27-24-21(15-26-13-12-25-17-26)14-20-10-4-8-19-9-5-11-22(24)23(19)20/h1-3,5-7,9,11-13,17,20-21,24H,4,8,10,14-16H2
InChIKeyNEORNEBISPZQBD-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.28
Rot. Bonds5

About 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole

1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole (PubChem CID 67901768) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole
PubChem CID67901768
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole
SMILESc1ccc(COC2c3cccc4c3C(CCC4)CC2Cn2ccnc2)cc1
InChIInChI=1S/C24H26N2O/c1-2-6-18(7-3-1)16-27-24-21(15-26-13-12-25-17-26)14-20-10-4-8-19-9-5-11-22(24)23(19)20/h1-3,5-7,9,11-13,17,20-21,24H,4,8,10,14-16H2
InChIKeyNEORNEBISPZQBD-UHFFFAOYSA-N
XLogP5.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole with MolForge

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Related Compounds

(1S,2S)-2-(imidazol-1-ylmethyl)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-ol
CID 54213176
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
(3S)-2-benzyl-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 67667874
8-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 112709300
4-(imidazol-1-ylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 18713054
benzyl (2S,4R)-4-hydroxy-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxylate
CID 15086212
1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole
CID 54148970
tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine
CID 63823189
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole?
The IUPAC name of 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole (CID 67901768) is 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole is c1ccc(COC2c3cccc4c3C(CCC4)CC2Cn2ccnc2)cc1.
What is the InChIKey of 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole?
The InChIKey is NEORNEBISPZQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-2-6-18(7-3-1)16-27-24-21(15-26-13-12-25-17-26)14-20-10-4-8-19-9-5-11-22(24)23(19)20/h1-3,5-7,9,11-13,17,20-21,24H,4,8,10,14-16H2.
What are the key properties of 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole?
1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole has a molecular weight of 358.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylmethoxy-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)methyl]imidazole is sourced from PubChem (CID 67901768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).