1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium

C24H22N3O+ — CID 19047437

IUPAC1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium
SMILESCOc1ccc(Cn2ccnc2-c2ccc[n+]3c2Cc2ccccc2C3)cc1
InChIInChI=1S/C24H22N3O/c1-28-21-10-8-18(9-11-21)16-27-14-12-25-24(27)22-7-4-13-26-17-20-6-3-2-5-19(20)15-23(22)26/h2-14H,15-17H2,1H3/q+1
InChIKeyUPFPGQWTRXOZFA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.85
Rot. Bonds4

About 1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium

1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium (PubChem CID 19047437) has the molecular formula C24H22N3O+ and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium
PubChem CID19047437
Molecular FormulaC24H22N3O+
Molecular Weight368.46 g/mol
Exact Mass368.18
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium
SMILESCOc1ccc(Cn2ccnc2-c2ccc[n+]3c2Cc2ccccc2C3)cc1
InChIInChI=1S/C24H22N3O/c1-28-21-10-8-18(9-11-21)16-27-14-12-25-24(27)22-7-4-13-26-17-20-6-3-2-5-19(20)15-23(22)26/h2-14H,15-17H2,1H3/q+1
InChIKeyUPFPGQWTRXOZFA-UHFFFAOYSA-N
XLogP3.85
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]quinoline
CID 50981223
2-(2,3-difluoro-4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 56863534
4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560557
[4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82559746
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
1-[(2-chlorophenyl)methyl]-2-(5-methoxy-2-phenylphenyl)imidazole
CID 90791888
4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
CID 82560831
1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
CID 82562071
2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole
CID 150946226
8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline
CID 56741436
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
CID 122395602

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium (CID 19047437) is 1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium is COc1ccc(Cn2ccnc2-c2ccc[n+]3c2Cc2ccccc2C3)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium?
The InChIKey is UPFPGQWTRXOZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N3O/c1-28-21-10-8-18(9-11-21)16-27-14-12-25-24(27)22-7-4-13-26-17-20-6-3-2-5-19(20)15-23(22)26/h2-14H,15-17H2,1H3/q+1.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium?
1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium has a molecular weight of 368.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-6,11-dihydrobenzo[b]quinolizin-5-ium is sourced from PubChem (CID 19047437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).