4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline

C18H24N2 — CID 138600231

IUPAC4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline
SMILESCC1CC2N(C)C3=C(C=CCC3)N2C2C=CC=CC12C
InChIInChI=1S/C18H24N2/c1-13-12-17-19(3)14-8-4-5-9-15(14)20(17)16-10-6-7-11-18(13,16)2/h5-7,9-11,13,16-17H,4,8,12H2,1-3H3
InChIKeyGWUOCFBKZNDNET-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.66
Rot. Bonds

About 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline

4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline (PubChem CID 138600231) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline.

Molecular Properties

Compound Name4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline
PubChem CID138600231
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline
SMILESCC1CC2N(C)C3=C(C=CCC3)N2C2C=CC=CC12C
InChIInChI=1S/C18H24N2/c1-13-12-17-19(3)14-8-4-5-9-15(14)20(17)16-10-6-7-11-18(13,16)2/h5-7,9-11,13,16-17H,4,8,12H2,1-3H3
InChIKeyGWUOCFBKZNDNET-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline with MolForge

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Related Compounds

4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine
CID 126516010
(5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine
CID 129109378
9,9-Dimethyl-10-propan-2-yl-4a,8a,9a,10a-tetrahydroacridine
CID 134249981
Iridium;4,4,5,5-tetramethyl-2-(trideuteriomethyl)-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 155791447
9,10-Dimethyl-1,11-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,5,7,12-tetraene
CID 163699699
(1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,6-dihydroimidazo[1,5-a]quinolin-6-ide;ruthenium(1+)
CID 165013429
(1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)
CID 165040083
8,15-Dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene
CID 166657482
2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole
CID 166657820
3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline
CID 166657831
(1R,2S)-1,2,20-trimethyl-12,20-diazapentacyclo[10.8.0.02,5.06,11.013,18]icosa-3,6(11),7,14,16-pentaene
CID 166715855
9,9,10-Trimethyl-2,3,8a,10a-tetrahydroacridine
CID 167248967

Frequently Asked Questions

What is the IUPAC name of 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline?
The IUPAC name of 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline (CID 138600231) is 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline.
What is the SMILES notation for 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline?
The canonical SMILES for 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline is CC1CC2N(C)C3=C(C=CCC3)N2C2C=CC=CC12C.
What is the InChIKey of 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline?
The InChIKey is GWUOCFBKZNDNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-12-17-19(3)14-8-4-5-9-15(14)20(17)16-10-6-7-11-18(13,16)2/h5-7,9-11,13,16-17H,4,8,12H2,1-3H3.
What are the key properties of 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline?
4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline has a molecular weight of 268.40 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,7-trimethyl-5,6,6a,8,9,12a-hexahydrobenzimidazolo[1,2-a]quinoline is sourced from PubChem (CID 138600231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).