12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one

C23H23N3O4 — CID 3245477

IUPAC12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESCOc1cc(OC)c(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)cc1OC
InChIInChI=1S/C23H23N3O4/c1-28-18-12-20(30-3)19(29-2)11-13(18)22-21-15(8-6-10-17(21)27)25-23-24-14-7-4-5-9-16(14)26(22)23/h4-5,7,9,11-12,22H,6,8,10H2,1-3H3,(H,24,25)
InChIKeyAZULXODESLGWOR-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.08
Rot. Bonds4

About 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one

12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 3245477) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
PubChem CID3245477
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESCOc1cc(OC)c(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)cc1OC
InChIInChI=1S/C23H23N3O4/c1-28-18-12-20(30-3)19(29-2)11-13(18)22-21-15(8-6-10-17(21)27)25-23-24-14-7-4-5-9-16(14)26(22)23/h4-5,7,9,11-12,22H,6,8,10H2,1-3H3,(H,24,25)
InChIKeyAZULXODESLGWOR-UHFFFAOYSA-N
XLogP4.08
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one with MolForge

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Related Compounds

12-(5-bromo-2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 3623011
(12R)-12-(2-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 40515858
(12R)-12-pyridin-4-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 942459
(12S)-12-(4-methylphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 946316
methyl (4S)-2-methyl-4-(2,4,5-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7336824
(9S)-2-benzylsulfanyl-9-(2,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135881974
ethyl (4S)-2-methyl-4-(2,4,5-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7306267
3-(3,4-dimethoxyphenyl)-12-(4-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 3877565
12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 18884616
3-(2,4-dimethoxyphenyl)-12-(4-propan-2-ylphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 4859663
(12S)-12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 51459840
(9R)-2-(3,4-dimethoxyphenyl)-9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 136857942

Frequently Asked Questions

What is the IUPAC name of 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (CID 3245477) is 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is COc1cc(OC)c(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)cc1OC.
What is the InChIKey of 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is AZULXODESLGWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-28-18-12-20(30-3)19(29-2)11-13(18)22-21-15(8-6-10-17(21)27)25-23-24-14-7-4-5-9-16(14)26(22)23/h4-5,7,9,11-12,22H,6,8,10H2,1-3H3,(H,24,25).
What are the key properties of 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 405.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 3245477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).