2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile

C20H24N4O — CID 129473785

IUPAC2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
SMILESCOc1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1C#N
InChIInChI=1S/C20H24N4O/c1-25-19-9-8-14(11-15(19)12-21)13-24-10-4-7-18(24)20-22-16-5-2-3-6-17(16)23-20/h8-9,11,18H,2-7,10,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyJOXYBTKSEMNMHW-GOSISDBHSA-N
MW336.44 g/mol
LogP3.51
Rot. Bonds4

About 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile

2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile (PubChem CID 129473785) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
PubChem CID129473785
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
SMILESCOc1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1C#N
InChIInChI=1S/C20H24N4O/c1-25-19-9-8-14(11-15(19)12-21)13-24-10-4-7-18(24)20-22-16-5-2-3-6-17(16)23-20/h8-9,11,18H,2-7,10,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyJOXYBTKSEMNMHW-GOSISDBHSA-N
XLogP3.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile (CID 129473785) is 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile is COc1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1C#N.
What is the InChIKey of 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile?
The InChIKey is JOXYBTKSEMNMHW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O/c1-25-19-9-8-14(11-15(19)12-21)13-24-10-4-7-18(24)20-22-16-5-2-3-6-17(16)23-20/h8-9,11,18H,2-7,10,13H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile?
2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile has a molecular weight of 336.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 129473785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).