12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one

C18H19N3O — CID 16726123

IUPAC12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESCCCCc1c2c(nc3nc4ccccc4n13)CCCC2=O
InChIInChI=1S/C18H19N3O/c1-2-3-9-15-17-13(8-6-11-16(17)22)20-18-19-12-7-4-5-10-14(12)21(15)18/h4-5,7,10H,2-3,6,8-9,11H2,1H3
InChIKeyNGNUUAFBIYGFNN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.74
Rot. Bonds3

About 12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one

12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 16726123) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
PubChem CID16726123
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESCCCCc1c2c(nc3nc4ccccc4n13)CCCC2=O
InChIInChI=1S/C18H19N3O/c1-2-3-9-15-17-13(8-6-11-16(17)22)20-18-19-12-7-4-5-10-14(12)21(15)18/h4-5,7,10H,2-3,6,8-9,11H2,1H3
InChIKeyNGNUUAFBIYGFNN-UHFFFAOYSA-N
XLogP3.74
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (CID 16726123) is 12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is CCCCc1c2c(nc3nc4ccccc4n13)CCCC2=O.
What is the InChIKey of 12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is NGNUUAFBIYGFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-3-9-15-17-13(8-6-11-16(17)22)20-18-19-12-7-4-5-10-14(12)21(15)18/h4-5,7,10H,2-3,6,8-9,11H2,1H3.
What are the key properties of 12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 16726123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).