5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one

C17H15N3O — CID 102452373

IUPAC5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one
SMILESCc1cc2nc3n(C)c4ccccc4c(=O)n3c2cc1C
InChIInChI=1S/C17H15N3O/c1-10-8-13-15(9-11(10)2)20-16(21)12-6-4-5-7-14(12)19(3)17(20)18-13/h4-9H,1-3H3
InChIKeyZXHJYTCLGGGEKU-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.96
Rot. Bonds

About 5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one

5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one (PubChem CID 102452373) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one
PubChem CID102452373
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one
SMILESCc1cc2nc3n(C)c4ccccc4c(=O)n3c2cc1C
InChIInChI=1S/C17H15N3O/c1-10-8-13-15(9-11(10)2)20-16(21)12-6-4-5-7-14(12)19(3)17(20)18-13/h4-9H,1-3H3
InChIKeyZXHJYTCLGGGEKU-UHFFFAOYSA-N
XLogP2.96
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one?
The IUPAC name of 5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one (CID 102452373) is 5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one is Cc1cc2nc3n(C)c4ccccc4c(=O)n3c2cc1C.
What is the InChIKey of 5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one?
The InChIKey is ZXHJYTCLGGGEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10-8-13-15(9-11(10)2)20-16(21)12-6-4-5-7-14(12)19(3)17(20)18-13/h4-9H,1-3H3.
What are the key properties of 5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one?
5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one has a molecular weight of 277.33 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 102452373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).