12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one

C23H23N3O2 — CID 4895010

IUPAC12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C23H23N3O2/c1-23(2)12-17-20(19(27)13-23)21(14-8-10-15(28-3)11-9-14)26-18-7-5-4-6-16(18)24-22(26)25-17/h4-11,21H,12-13H2,1-3H3,(H,24,25)
InChIKeyRHBCPBREBOUHCY-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.70
Rot. Bonds2

About 12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one

12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 4895010) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
PubChem CID4895010
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C23H23N3O2/c1-23(2)12-17-20(19(27)13-23)21(14-8-10-15(28-3)11-9-14)26-18-7-5-4-6-16(18)24-22(26)25-17/h4-11,21H,12-13H2,1-3H3,(H,24,25)
InChIKeyRHBCPBREBOUHCY-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one (CID 4895010) is 12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one is COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3nc4ccccc4n32)cc1.
What is the InChIKey of 12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is RHBCPBREBOUHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-23(2)12-17-20(19(27)13-23)21(14-8-10-15(28-3)11-9-14)26-18-7-5-4-6-16(18)24-22(26)25-17/h4-11,21H,12-13H2,1-3H3,(H,24,25).
What are the key properties of 12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 373.46 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 4895010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).