1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C21H24N4O2 — CID 133331927

IUPAC1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCOCCOCC1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)C1
InChIInChI=1S/C21H24N4O2/c1-15-11-20(24-8-7-16(13-24)14-27-10-9-26-2)25-19-6-4-3-5-18(19)23-21(25)17(15)12-22/h3-6,11,16H,7-10,13-14H2,1-2H3
InChIKeySVKAZWGIPUNZJX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.16
Rot. Bonds6

About 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 133331927) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID133331927
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCOCCOCC1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)C1
InChIInChI=1S/C21H24N4O2/c1-15-11-20(24-8-7-16(13-24)14-27-10-9-26-2)25-19-6-4-3-5-18(19)23-21(25)17(15)12-22/h3-6,11,16H,7-10,13-14H2,1-2H3
InChIKeySVKAZWGIPUNZJX-UHFFFAOYSA-N
XLogP3.16
TPSA62.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile 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-methyl-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133341797
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726811
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
CID 24632833
3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726802
16-[3-(methoxymethyl)pyrrolidin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile;hydrochloride
CID 160574643
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide
CID 99814095
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133474956
1-[1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperidin-4-yl]-3-phenylurea
CID 60570202
3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 986224
2-[[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120965245
1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3274860
methyl 1-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)piperidine-4-carboxylate
CID 167975128

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 133331927) is 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is COCCOCC1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)C1.
What is the InChIKey of 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is SVKAZWGIPUNZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-11-20(24-8-7-16(13-24)14-27-10-9-26-2)25-19-6-4-3-5-18(19)23-21(25)17(15)12-22/h3-6,11,16H,7-10,13-14H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 133331927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).