1-(anthracen-1-ylmethyl)-5-pentylimidazole

C23H24N2 — CID 14577649

IUPAC1-(anthracen-1-ylmethyl)-5-pentylimidazole
SMILESCCCCCc1cncn1Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C23H24N2/c1-2-3-4-12-22-15-24-17-25(22)16-21-11-7-10-20-13-18-8-5-6-9-19(18)14-23(20)21/h5-11,13-15,17H,2-4,12,16H2,1H3
InChIKeyMRWVPBMFLOPUPL-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.97
Rot. Bonds6

About 1-(anthracen-1-ylmethyl)-5-pentylimidazole

1-(anthracen-1-ylmethyl)-5-pentylimidazole (PubChem CID 14577649) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(anthracen-1-ylmethyl)-5-pentylimidazole.

Molecular Properties

Compound Name1-(anthracen-1-ylmethyl)-5-pentylimidazole
PubChem CID14577649
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name1-(anthracen-1-ylmethyl)-5-pentylimidazole
SMILESCCCCCc1cncn1Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C23H24N2/c1-2-3-4-12-22-15-24-17-25(22)16-21-11-7-10-20-13-18-8-5-6-9-19(18)14-23(20)21/h5-11,13-15,17H,2-4,12,16H2,1H3
InChIKeyMRWVPBMFLOPUPL-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-dodecylpentacene
CID 141370235
lithium;1-hexylanthracene;hydride
CID 174350658
dihydroxy(oxo)phosphanium;1-icosylanthracene
CID 87504793
N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151382
1-ethenyl-2-heptylanthracene
CID 173321573
1-ethenyl-2-hexylanthracene
CID 18927849
CID 173167056
CID 173167056
1-octadecylacridine
CID 87175858
2,3-diheptylanthracene
CID 14089075
1-tetradecylnaphthalene
CID 14402128
2,3-dioctadecylpentacene
CID 91251003
1-hexadecylacridine;hydrochloride
CID 172754650

Frequently Asked Questions

What is the IUPAC name of 1-(anthracen-1-ylmethyl)-5-pentylimidazole?
The IUPAC name of 1-(anthracen-1-ylmethyl)-5-pentylimidazole (CID 14577649) is 1-(anthracen-1-ylmethyl)-5-pentylimidazole.
What is the SMILES notation for 1-(anthracen-1-ylmethyl)-5-pentylimidazole?
The canonical SMILES for 1-(anthracen-1-ylmethyl)-5-pentylimidazole is CCCCCc1cncn1Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-(anthracen-1-ylmethyl)-5-pentylimidazole?
The InChIKey is MRWVPBMFLOPUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-2-3-4-12-22-15-24-17-25(22)16-21-11-7-10-20-13-18-8-5-6-9-19(18)14-23(20)21/h5-11,13-15,17H,2-4,12,16H2,1H3.
What are the key properties of 1-(anthracen-1-ylmethyl)-5-pentylimidazole?
1-(anthracen-1-ylmethyl)-5-pentylimidazole has a molecular weight of 328.46 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(anthracen-1-ylmethyl)-5-pentylimidazole is sourced from PubChem (CID 14577649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).