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

C21H19N5 — CID 54110499

IUPAC1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile
SMILESN#Cc1nc2ccccc2n1-c1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
InChIInChI=1S/C21H19N5/c22-12-21-25-19-5-1-2-6-20(19)26(21)16-7-8-18-17(11-16)14(13-24-18)10-15-4-3-9-23-15/h1-2,5-8,11,13,15,23-24H,3-4,9-10H2/t15-/m1/s1
InChIKeyNGTIVPHZYZAZLQ-OAHLLOKOSA-N
MW341.42 g/mol
LogP3.67
Rot. Bonds3

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

1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile (PubChem CID 54110499) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile
PubChem CID54110499
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile
SMILESN#Cc1nc2ccccc2n1-c1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
InChIInChI=1S/C21H19N5/c22-12-21-25-19-5-1-2-6-20(19)26(21)16-7-8-18-17(11-16)14(13-24-18)10-15-4-3-9-23-15/h1-2,5-8,11,13,15,23-24H,3-4,9-10H2/t15-/m1/s1
InChIKeyNGTIVPHZYZAZLQ-OAHLLOKOSA-N
XLogP3.67
TPSA69.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile?
The IUPAC name of 1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile (CID 54110499) is 1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile.
What is the SMILES notation for 1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile?
The canonical SMILES for 1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile is N#Cc1nc2ccccc2n1-c1ccc2[nH]cc(C[C@H]3CCCN3)c2c1.
What is the InChIKey of 1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile?
The InChIKey is NGTIVPHZYZAZLQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19N5/c22-12-21-25-19-5-1-2-6-20(19)26(21)16-7-8-18-17(11-16)14(13-24-18)10-15-4-3-9-23-15/h1-2,5-8,11,13,15,23-24H,3-4,9-10H2/t15-/m1/s1.
What are the key properties of 1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile?
1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile has a molecular weight of 341.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzimidazole-2-carbonitrile is sourced from PubChem (CID 54110499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).