12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one

C93H88N12O8 — CID 138981677

IUPAC12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1ccc(OCC(COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)(COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)cc1
InChIInChI=1S/C93H88N12O8/c1-89(2)41-65-77(73(106)45-89)81(102-69-21-13-9-17-61(69)94-85(102)98-65)53-25-33-57(34-26-53)110-49-93(50-111-58-35-27-54(28-36-58)82-78-66(42-90(3,4)46-74(78)107)99-86-95-62-18-10-14-22-70(62)103(82)86,51-112-59-37-29-55(30-38-59)83-79-67(43-91(5,6)47-75(79)108)100-87-96-63-19-11-15-23-71(63)104(83)87)52-113-60-39-31-56(32-40-60)84-80-68(44-92(7,8)48-76(80)109)101-88-97-64-20-12-16-24-72(64)105(84)88/h9-40,81-84H,41-52H2,1-8H3,(H,94,98)(H,95,99)(H,96,100)(H,97,101)
InChIKeyGFDZDPPJGJTNRS-UHFFFAOYSA-N
MW1501.80 g/mol
LogP18.32
Rot. Bonds16

About 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one

12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 138981677) has the molecular formula C93H88N12O8 and a molecular weight of 1501.80 g/mol. Its IUPAC name is 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
PubChem CID138981677
Molecular FormulaC93H88N12O8
Molecular Weight1501.80 g/mol
Exact Mass1500.68
IUPAC Name12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1ccc(OCC(COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)(COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)cc1
InChIInChI=1S/C93H88N12O8/c1-89(2)41-65-77(73(106)45-89)81(102-69-21-13-9-17-61(69)94-85(102)98-65)53-25-33-57(34-26-53)110-49-93(50-111-58-35-27-54(28-36-58)82-78-66(42-90(3,4)46-74(78)107)99-86-95-62-18-10-14-22-70(62)103(82)86,51-112-59-37-29-55(30-38-59)83-79-67(43-91(5,6)47-75(79)108)100-87-96-63-19-11-15-23-71(63)104(83)87)52-113-60-39-31-56(32-40-60)84-80-68(44-92(7,8)48-76(80)109)101-88-97-64-20-12-16-24-72(64)105(84)88/h9-40,81-84H,41-52H2,1-8H3,(H,94,98)(H,95,99)(H,96,100)(H,97,101)
InChIKeyGFDZDPPJGJTNRS-UHFFFAOYSA-N
XLogP18.32
TPSA224.60 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001501.80
LogP ≤ 518.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-(4-methoxyphenyl)-3,3-dimethyl-3,4,5,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
CID 4895010
12-(4-methoxyphenyl)-3,4,5,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
CID 3758474
Ethyl 4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 4890740
2-(4-Methoxyphenyl)-20-phenyl-3,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),4,6,8,10,14,16,18-octaen-21-one
CID 139229868
12-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4,5,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
CID 4893980
3-(furan-2-yl)-12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 2968547
[2,4,5-Tris[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoyl]oxymethyl]phenyl]methyl 4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoate
CID 138981673
3,3-Dimethyl-12-[4-[[2,4,5-tris[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 138981674
3,3-Dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 138981676
[3-[4-(3,3-Dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoyl]oxy-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoyl]oxymethyl]propyl] 4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoate
CID 138981678
12-[4-[[3,5-Bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 138981684
[3,5-Bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoyl]oxymethyl]phenyl]methyl 4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoate
CID 138981686

Frequently Asked Questions

What is the IUPAC name of 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one (CID 138981677) is 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one is CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1ccc(OCC(COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)(COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)cc1.
What is the InChIKey of 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is GFDZDPPJGJTNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H88N12O8/c1-89(2)41-65-77(73(106)45-89)81(102-69-21-13-9-17-61(69)94-85(102)98-65)53-25-33-57(34-26-53)110-49-93(50-111-58-35-27-54(28-36-58)82-78-66(42-90(3,4)46-74(78)107)99-86-95-62-18-10-14-22-70(62)103(82)86,51-112-59-37-29-55(30-38-59)83-79-67(43-91(5,6)47-75(79)108)100-87-96-63-19-11-15-23-71(63)104(83)87)52-113-60-39-31-56(32-40-60)84-80-68(44-92(7,8)48-76(80)109)101-88-97-64-20-12-16-24-72(64)105(84)88/h9-40,81-84H,41-52H2,1-8H3,(H,94,98)(H,95,99)(H,96,100)(H,97,101).
What are the key properties of 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 1501.80 g/mol, XLogP of 18.32, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[3-[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 138981677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).