3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one

C17H17N3O — CID 666644

IUPAC3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one
SMILESCc1c2c(nc3nc4ccccc4n13)CC(C)(C)CC2=O
InChIInChI=1S/C17H17N3O/c1-10-15-12(8-17(2,3)9-14(15)21)19-16-18-11-6-4-5-7-13(11)20(10)16/h4-7H,8-9H2,1-3H3
InChIKeyYHCTZFGPOHEYLT-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.35
Rot. Bonds

About 3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one

3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 666644) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one
PubChem CID666644
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one
SMILESCc1c2c(nc3nc4ccccc4n13)CC(C)(C)CC2=O
InChIInChI=1S/C17H17N3O/c1-10-15-12(8-17(2,3)9-14(15)21)19-16-18-11-6-4-5-7-13(11)20(10)16/h4-7H,8-9H2,1-3H3
InChIKeyYHCTZFGPOHEYLT-UHFFFAOYSA-N
XLogP3.35
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one (CID 666644) is 3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one is Cc1c2c(nc3nc4ccccc4n13)CC(C)(C)CC2=O.
What is the InChIKey of 3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is YHCTZFGPOHEYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10-15-12(8-17(2,3)9-14(15)21)19-16-18-11-6-4-5-7-13(11)20(10)16/h4-7H,8-9H2,1-3H3.
What are the key properties of 3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one?
3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 279.34 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,12-trimethyl-2,4-dihydrobenzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 666644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).