5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline

C22H30N2 — CID 144898407

IUPAC5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline
SMILESCCC1(C)c2ccccc2N2C3=C(C=CCC3)N(C)C2C1(C)CC
InChIInChI=1S/C22H30N2/c1-6-21(3)16-12-8-9-13-17(16)24-19-15-11-10-14-18(19)23(5)20(24)22(21,4)7-2/h8-10,12-14,20H,6-7,11,15H2,1-5H3
InChIKeyJPNHKIGRXDXKIF-UHFFFAOYSA-N
MW322.50 g/mol
LogP5.42
Rot. Bonds2

About 5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline

5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline (PubChem CID 144898407) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline.

Molecular Properties

Compound Name5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline
PubChem CID144898407
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline
SMILESCCC1(C)c2ccccc2N2C3=C(C=CCC3)N(C)C2C1(C)CC
InChIInChI=1S/C22H30N2/c1-6-21(3)16-12-8-9-13-17(16)24-19-15-11-10-14-18(19)23(5)20(24)22(21,4)7-2/h8-10,12-14,20H,6-7,11,15H2,1-5H3
InChIKeyJPNHKIGRXDXKIF-UHFFFAOYSA-N
XLogP5.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123524781
8,9-diethyl-8,9-dimethyl-14,15-bis(2-methylphenyl)-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 123630412
11-(3,5-dimethyl-4-phenylphenyl)-8,9-diethyl-8,9-dimethyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
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8,8,9-triethyl-9-methyl-11-propan-2-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 123482933
2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene
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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline?
The IUPAC name of 5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline (CID 144898407) is 5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline.
What is the SMILES notation for 5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline?
The canonical SMILES for 5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline is CCC1(C)c2ccccc2N2C3=C(C=CCC3)N(C)C2C1(C)CC.
What is the InChIKey of 5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline?
The InChIKey is JPNHKIGRXDXKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-6-21(3)16-12-8-9-13-17(16)24-19-15-11-10-14-18(19)23(5)20(24)22(21,4)7-2/h8-10,12-14,20H,6-7,11,15H2,1-5H3.
What are the key properties of 5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline?
5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline has a molecular weight of 322.50 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-5,6,7-trimethyl-10,11-dihydro-6aH-benzimidazolo[1,2-a]quinoline is sourced from PubChem (CID 144898407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).