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

C15H13N3O — CID 3161784

IUPAC3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESCC1CC(=O)c2cn3c(nc2C1)nc1ccccc13
InChIInChI=1S/C15H13N3O/c1-9-6-12-10(14(19)7-9)8-18-13-5-3-2-4-11(13)16-15(18)17-12/h2-5,8-9H,6-7H2,1H3
InChIKeyGXHXLXYASMCMGV-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.65
Rot. Bonds

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

3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 3161784) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
PubChem CID3161784
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESCC1CC(=O)c2cn3c(nc2C1)nc1ccccc13
InChIInChI=1S/C15H13N3O/c1-9-6-12-10(14(19)7-9)8-18-13-5-3-2-4-11(13)16-15(18)17-12/h2-5,8-9H,6-7H2,1H3
InChIKeyGXHXLXYASMCMGV-UHFFFAOYSA-N
XLogP2.65
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cilansetron
CID 6918107
10-[2-(Dimethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 438569
10-[2-(Diethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 371512
1-Phenylbenzimidazole deriv. 72
CID 5328471
5-HT3 antagonist 3
CID 65939
10-[2-(Dimethylamino)ethylamino]-5-fluoro-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 24803338
1-(2-Amino-4-methyl-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 25061752
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
12-(pyridin-4-yl)-3,4,5,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
CID 2956586
10-[3-(Dimethylamino)propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 438572
2-[4-(Pyridin-2-yl)phenyl]-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-2,4(12),5,7-tetraen-9-one
CID 25113762
2-(2,3-dihydro-1H-indol-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 663648

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (CID 3161784) is 3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is CC1CC(=O)c2cn3c(nc2C1)nc1ccccc13.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is GXHXLXYASMCMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-9-6-12-10(14(19)7-9)8-18-13-5-3-2-4-11(13)16-15(18)17-12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 251.29 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 3161784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).