1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole

C19H18N2 — CID 71391540

IUPAC1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole
SMILESCN1C=CN(Cc2c3ccccc3cc3ccccc23)C1
InChIInChI=1S/C19H18N2/c1-20-10-11-21(14-20)13-19-17-8-4-2-6-15(17)12-16-7-3-5-9-18(16)19/h2-12H,13-14H2,1H3
InChIKeyFZWLTXFXVWZVKV-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.17
Rot. Bonds2

About 1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole

1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole (PubChem CID 71391540) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole
PubChem CID71391540
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole
SMILESCN1C=CN(Cc2c3ccccc3cc3ccccc23)C1
InChIInChI=1S/C19H18N2/c1-20-10-11-21(14-20)13-19-17-8-4-2-6-15(17)12-16-7-3-5-9-18(16)19/h2-12H,13-14H2,1H3
InChIKeyFZWLTXFXVWZVKV-UHFFFAOYSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole
CID 90224466
1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole
CID 101475432
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
10-(anthracen-9-ylmethyl)-1,4,7-trioxa-10-azacyclododecane
CID 101025185
2-(anthracen-9-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1376491
anthracen-9-ylmethyloxidanium
CID 143222944
carbanide;chloropalladium(1+);12,14-dimethyl-13-[2-(3-methyl-2H-imidazol-1-yl)ethoxy]-12,14-diaza-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 138965339
9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
CID 12570915
9-(chloromethyl)anthracene;methane;1,4,7,10-tetrakis(anthracen-9-ylmethyl)-1,4,7,10-tetrazacyclododecane;1,4,7,10-tetrazacyclododecane
CID 159361374
methyl 1-(anthracen-9-ylmethyl)piperidine-4-carboxylate
CID 100969336
1-anthracen-9-ylpropan-2-ol
CID 19889136
9-(anthracen-9-ylmethyl)-3,5-dimethyl-4λ4-thia-1,3,5,7-tetrazatricyclo[5.3.1.04,11]undec-4(11)-ene-2,6-dithione
CID 11102418

Frequently Asked Questions

What is the IUPAC name of 1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole (CID 71391540) is 1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole is CN1C=CN(Cc2c3ccccc3cc3ccccc23)C1.
What is the InChIKey of 1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole?
The InChIKey is FZWLTXFXVWZVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-20-10-11-21(14-20)13-19-17-8-4-2-6-15(17)12-16-7-3-5-9-18(16)19/h2-12H,13-14H2,1H3.
What are the key properties of 1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole?
1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole has a molecular weight of 274.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(anthracen-9-ylmethyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 71391540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).