1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile

C24H25N5O — CID 15411335

IUPAC1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile
SMILESCOCCN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(C#N)ccc43)cc12
InChIInChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3/t19-/m1/s1
InChIKeyJHDNCJGODWCHES-LJQANCHMSA-N
MW399.50 g/mol
LogP4.03
Rot. Bonds6

About 1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile

1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile (PubChem CID 15411335) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile
PubChem CID15411335
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile
SMILESCOCCN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(C#N)ccc43)cc12
InChIInChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3/t19-/m1/s1
InChIKeyJHDNCJGODWCHES-LJQANCHMSA-N
XLogP4.03
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile (CID 15411335) is 1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile is COCCN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(C#N)ccc43)cc12.
What is the InChIKey of 1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile?
The InChIKey is JHDNCJGODWCHES-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N5O/c1-30-10-9-28-8-2-3-19(28)12-18-15-26-22-6-5-20(13-21(18)22)29-16-27-23-11-17(14-25)4-7-24(23)29/h4-7,11,13,15-16,19,26H,2-3,8-10,12H2,1H3/t19-/m1/s1.
What are the key properties of 1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile?
1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile has a molecular weight of 399.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 15411335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).