2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one

C22H21N3O — CID 138981683

IUPAC2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one
SMILESCC1(C)CC(=O)C2=C(C1)n1c(nc3ccccc31)NC2c1ccccc1
InChIInChI=1S/C22H21N3O/c1-22(2)12-17-19(18(26)13-22)20(14-8-4-3-5-9-14)24-21-23-15-10-6-7-11-16(15)25(17)21/h3-11,20H,12-13H2,1-2H3,(H,23,24)
InChIKeyMUKAMQYKMRITIR-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.80
Rot. Bonds1

About 2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one

2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one (PubChem CID 138981683) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one
PubChem CID138981683
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one
SMILESCC1(C)CC(=O)C2=C(C1)n1c(nc3ccccc31)NC2c1ccccc1
InChIInChI=1S/C22H21N3O/c1-22(2)12-17-19(18(26)13-22)20(14-8-4-3-5-9-14)24-21-23-15-10-6-7-11-16(15)25(17)21/h3-11,20H,12-13H2,1-2H3,(H,23,24)
InChIKeyMUKAMQYKMRITIR-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one?
The IUPAC name of 2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one (CID 138981683) is 2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one.
What is the SMILES notation for 2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one?
The canonical SMILES for 2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one is CC1(C)CC(=O)C2=C(C1)n1c(nc3ccccc31)NC2c1ccccc1.
What is the InChIKey of 2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one?
The InChIKey is MUKAMQYKMRITIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-22(2)12-17-19(18(26)13-22)20(14-8-4-3-5-9-14)24-21-23-15-10-6-7-11-16(15)25(17)21/h3-11,20H,12-13H2,1-2H3,(H,23,24).
What are the key properties of 2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one?
2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenyl-1,3,5,6-tetrahydrobenzimidazolo[1,2-a]quinazolin-4-one is sourced from PubChem (CID 138981683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).