8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one

C14H7Cl2N3O — CID 21489217

IUPAC8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2[nH]c3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C14H7Cl2N3O/c15-8-5-11-12(6-9(8)16)19-13(20)7-3-1-2-4-10(7)17-14(19)18-11/h1-6H,(H,17,18)
InChIKeyURWAKTJOLUGBJX-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.64
Rot. Bonds

About 8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one

8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one (PubChem CID 21489217) has the molecular formula C14H7Cl2N3O and a molecular weight of 304.14 g/mol. Its IUPAC name is 8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one
PubChem CID21489217
Molecular FormulaC14H7Cl2N3O
Molecular Weight304.14 g/mol
Exact Mass303.00
IUPAC Name8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2[nH]c3cc(Cl)c(Cl)cc3n12
InChIInChI=1S/C14H7Cl2N3O/c15-8-5-11-12(6-9(8)16)19-13(20)7-3-1-2-4-10(7)17-14(19)18-11/h1-6H,(H,17,18)
InChIKeyURWAKTJOLUGBJX-UHFFFAOYSA-N
XLogP3.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one?
The IUPAC name of 8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one (CID 21489217) is 8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one is O=c1c2ccccc2nc2[nH]c3cc(Cl)c(Cl)cc3n12.
What is the InChIKey of 8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one?
The InChIKey is URWAKTJOLUGBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N3O/c15-8-5-11-12(6-9(8)16)19-13(20)7-3-1-2-4-10(7)17-14(19)18-11/h1-6H,(H,17,18).
What are the key properties of 8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one?
8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one has a molecular weight of 304.14 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 21489217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).