5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline

C32H32N2 — CID 166829359

IUPAC5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline
SMILESCCC1(CC)CC2N(c3ccc(-c4ccccc4)cc3C)c3ccccc3N2c2ccccc21
InChIInChI=1S/C32H32N2/c1-4-32(5-2)22-31-33(27-20-19-25(21-23(27)3)24-13-7-6-8-14-24)29-17-11-12-18-30(29)34(31)28-16-10-9-15-26(28)32/h6-21,31H,4-5,22H2,1-3H3
InChIKeyWJALZXCSWTXHPY-UHFFFAOYSA-N
MW444.62 g/mol
LogP8.74
Rot. Bonds4

About 5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline

5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline (PubChem CID 166829359) has the molecular formula C32H32N2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline.

Molecular Properties

Compound Name5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline
PubChem CID166829359
Molecular FormulaC32H32N2
Molecular Weight444.62 g/mol
Exact Mass444.26
IUPAC Name5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline
SMILESCCC1(CC)CC2N(c3ccc(-c4ccccc4)cc3C)c3ccccc3N2c2ccccc21
InChIInChI=1S/C32H32N2/c1-4-32(5-2)22-31-33(27-20-19-25(21-23(27)3)24-13-7-6-8-14-24)29-17-11-12-18-30(29)34(31)28-16-10-9-15-26(28)32/h6-21,31H,4-5,22H2,1-3H3
InChIKeyWJALZXCSWTXHPY-UHFFFAOYSA-N
XLogP8.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline?
The IUPAC name of 5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline (CID 166829359) is 5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline.
What is the SMILES notation for 5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline?
The canonical SMILES for 5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline is CCC1(CC)CC2N(c3ccc(-c4ccccc4)cc3C)c3ccccc3N2c2ccccc21.
What is the InChIKey of 5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline?
The InChIKey is WJALZXCSWTXHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2/c1-4-32(5-2)22-31-33(27-20-19-25(21-23(27)3)24-13-7-6-8-14-24)29-17-11-12-18-30(29)34(31)28-16-10-9-15-26(28)32/h6-21,31H,4-5,22H2,1-3H3.
What are the key properties of 5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline?
5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline has a molecular weight of 444.62 g/mol, XLogP of 8.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-7-(2-methyl-4-phenylphenyl)-6,6a-dihydrobenzimidazolo[1,2-a]quinoline is sourced from PubChem (CID 166829359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).