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

C29H24N4O2 — CID 18884616

IUPAC12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESCOc1ccccc1C1CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1c[nH]c2ccccc12
InChIInChI=1S/C29H24N4O2/c1-35-26-13-7-3-8-18(26)17-14-23-27(25(34)15-17)28(20-16-30-21-10-4-2-9-19(20)21)33-24-12-6-5-11-22(24)31-29(33)32-23/h2-13,16-17,28,30H,14-15H2,1H3,(H,31,32)
InChIKeyCNEJLOBSRIXJCT-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.94
Rot. Bonds3

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

12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 18884616) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
PubChem CID18884616
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
SMILESCOc1ccccc1C1CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1c[nH]c2ccccc12
InChIInChI=1S/C29H24N4O2/c1-35-26-13-7-3-8-18(26)17-14-23-27(25(34)15-17)28(20-16-30-21-10-4-2-9-19(20)21)33-24-12-6-5-11-22(24)31-29(33)32-23/h2-13,16-17,28,30H,14-15H2,1H3,(H,31,32)
InChIKeyCNEJLOBSRIXJCT-UHFFFAOYSA-N
XLogP5.94
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[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

3-(3,4-dimethoxyphenyl)-12-(4-fluorophenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 3877565
3-(2,4-dimethoxyphenyl)-12-(4-propan-2-ylphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 4859663
3,12-bis(furan-2-yl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 4889231
12-(2,4,5-trimethoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 3245477
12-(5-bromo-2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 3623011
(3R,12R)-3-(furan-2-yl)-12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 1265612
(3S,12S)-3-(4-methoxyphenyl)-12-pyridin-3-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 1259086
(3R,12R)-3-(4-methoxyphenyl)-12-thiophen-2-yl-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 40589585
(3S,12R)-3-(furan-2-yl)-12-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 1265618
1-[(4R)-4-(1H-indol-3-yl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
CID 92695395
(3R,12S)-12-(3-chlorophenyl)-3-(4-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 41117995
ethyl 4-(1H-indol-3-yl)-2-propyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 17355122

Frequently Asked Questions

What is the IUPAC name of 12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one (CID 18884616) is 12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is COc1ccccc1C1CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1c[nH]c2ccccc12.
What is the InChIKey of 12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is CNEJLOBSRIXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c1-35-26-13-7-3-8-18(26)17-14-23-27(25(34)15-17)28(20-16-30-21-10-4-2-9-19(20)21)33-24-12-6-5-11-22(24)31-29(33)32-23/h2-13,16-17,28,30H,14-15H2,1H3,(H,31,32).
What are the key properties of 12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one?
12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 460.54 g/mol, XLogP of 5.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 18884616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).