3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline

C32H25N5O — CID 135685731

IUPAC3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline
SMILESCOc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cnc5ccccc5c4C)ccc32)cc1
InChIInChI=1S/C32H25N5O/c1-20-24-7-3-4-8-27(24)33-18-26(20)22-13-16-30-25(17-22)31(32-34-28-9-5-6-10-29(28)35-32)36-37(30)19-21-11-14-23(38-2)15-12-21/h3-18H,19H2,1-2H3,(H,34,35)
InChIKeyXEJZFSQPFLXOGG-UHFFFAOYSA-N
MW495.59 g/mol
LogP7.16
Rot. Bonds5

About 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline

3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline (PubChem CID 135685731) has the molecular formula C32H25N5O and a molecular weight of 495.59 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline
PubChem CID135685731
Molecular FormulaC32H25N5O
Molecular Weight495.59 g/mol
Exact Mass495.21
IUPAC Name3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline
SMILESCOc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cnc5ccccc5c4C)ccc32)cc1
InChIInChI=1S/C32H25N5O/c1-20-24-7-3-4-8-27(24)33-18-26(20)22-13-16-30-25(17-22)31(32-34-28-9-5-6-10-29(28)35-32)36-37(30)19-21-11-14-23(38-2)15-12-21/h3-18H,19H2,1-2H3,(H,34,35)
InChIKeyXEJZFSQPFLXOGG-UHFFFAOYSA-N
XLogP7.16
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.59
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline 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-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[4-(piperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218688
3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-{4-[4-(3-methoxypropyl)piperazin-1-yl]cyclohexyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218692
1-{4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218693
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386768
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
Benzeneethanamine, 4-[8-[2-(4-methoxyphenyl)ethynyl]-1H-imidazo[4,5-c]quinolin-1-yl]-
CID 11258617
6-[[6-(3-Methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127046732
(3S)-1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 9802240
N-[(R)-2-(1H-Indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-4-methoxy-benzamidine
CID 10094509
1-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl-3H-imidazol-4-yl)-pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 12020642
6-(1H-Benzoimidazol-2-yl)-5-methyl-4-(4-phenoxy-phenylamino)-pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 22179680

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline?
The IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline (CID 135685731) is 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline.
What is the SMILES notation for 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline?
The canonical SMILES for 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline is COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cnc5ccccc5c4C)ccc32)cc1.
What is the InChIKey of 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline?
The InChIKey is XEJZFSQPFLXOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N5O/c1-20-24-7-3-4-8-27(24)33-18-26(20)22-13-16-30-25(17-22)31(32-34-28-9-5-6-10-29(28)35-32)36-37(30)19-21-11-14-23(38-2)15-12-21/h3-18H,19H2,1-2H3,(H,34,35).
What are the key properties of 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline?
3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline has a molecular weight of 495.59 g/mol, XLogP of 7.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methylquinoline is sourced from PubChem (CID 135685731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).