3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one

C16H15N3O — CID 666060

IUPAC3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one
SMILESCC1(C)CC(=O)c2cn3c(nc2C1)nc1ccccc13
InChIInChI=1S/C16H15N3O/c1-16(2)7-12-10(14(20)8-16)9-19-13-6-4-3-5-11(13)17-15(19)18-12/h3-6,9H,7-8H2,1-2H3
InChIKeyPLHVSIAYIQRKIB-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.04
Rot. Bonds

About 3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one

3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 666060) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one
PubChem CID666060
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one
SMILESCC1(C)CC(=O)c2cn3c(nc2C1)nc1ccccc13
InChIInChI=1S/C16H15N3O/c1-16(2)7-12-10(14(20)8-16)9-19-13-6-4-3-5-11(13)17-15(19)18-12/h3-6,9H,7-8H2,1-2H3
InChIKeyPLHVSIAYIQRKIB-UHFFFAOYSA-N
XLogP3.04
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one (CID 666060) is 3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one is CC1(C)CC(=O)c2cn3c(nc2C1)nc1ccccc13.
What is the InChIKey of 3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is PLHVSIAYIQRKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-16(2)7-12-10(14(20)8-16)9-19-13-6-4-3-5-11(13)17-15(19)18-12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one?
3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 666060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).