4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile

C28H30N6O2 — CID 175799446

IUPAC4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile
SMILESCOCCn1c(CN2CCN(c3cccc(OCc4ccc(C#N)cc4)n3)CC2)nc2ccccc21
InChIInChI=1S/C28H30N6O2/c1-35-18-17-34-25-6-3-2-5-24(25)30-27(34)20-32-13-15-33(16-14-32)26-7-4-8-28(31-26)36-21-23-11-9-22(19-29)10-12-23/h2-12H,13-18,20-21H2,1H3
InChIKeyGCEXNPXDZDXOEQ-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.85
Rot. Bonds9

About 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile

4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile (PubChem CID 175799446) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile
PubChem CID175799446
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile
SMILESCOCCn1c(CN2CCN(c3cccc(OCc4ccc(C#N)cc4)n3)CC2)nc2ccccc21
InChIInChI=1S/C28H30N6O2/c1-35-18-17-34-25-6-3-2-5-24(25)30-27(34)20-32-13-15-33(16-14-32)26-7-4-8-28(31-26)36-21-23-11-9-22(19-29)10-12-23/h2-12H,13-18,20-21H2,1H3
InChIKeyGCEXNPXDZDXOEQ-UHFFFAOYSA-N
XLogP3.85
TPSA79.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile 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

2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 134611110
3-fluoro-4-[[6-[4-[[1-[(3-methylimidazol-4-yl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile
CID 175799581
2-[[5-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 170764823
7-[[6-[1-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]isoquinoline
CID 175780781
2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
CID 62823945
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole
CID 175799455
2-[[4-[6-[(5-cyanopyrimidin-2-yl)methoxy]-2-pyridinyl]piperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 162737654
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]methyl]-3-(1,3-oxazol-5-ylmethyl)benzimidazole-5-carboxylic acid
CID 134611101
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]methyl]-3-[[(2S)-1,1-dioxothietan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 162737355
2-(azepan-1-ylmethyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 18885338
2-[[4-[6-[(4-cyanophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-4-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 166089952
3-fluoro-4-[[6-[1-[[1-(oxetan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]benzonitrile
CID 175799448

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile?
The IUPAC name of 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile (CID 175799446) is 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile.
What is the SMILES notation for 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile?
The canonical SMILES for 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile is COCCn1c(CN2CCN(c3cccc(OCc4ccc(C#N)cc4)n3)CC2)nc2ccccc21.
What is the InChIKey of 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile?
The InChIKey is GCEXNPXDZDXOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-35-18-17-34-25-6-3-2-5-24(25)30-27(34)20-32-13-15-33(16-14-32)26-7-4-8-28(31-26)36-21-23-11-9-22(19-29)10-12-23/h2-12H,13-18,20-21H2,1H3.
What are the key properties of 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile?
4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile has a molecular weight of 482.59 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-2-pyridinyl]oxymethyl]benzonitrile is sourced from PubChem (CID 175799446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).