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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Related Compounds

3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
CID 54191392
1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 70068348
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole
CID 19702143
3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
CID 67247276
5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 22873790
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63640680
3-[(1-benzhydrylazetidin-3-yl)methyl]-1H-indole-5-carbonitrile
CID 69204264
7-(dimethylamino)-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84743087
benzyl (2R)-2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;5-methoxy-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 157165509
(3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine
CID 67185221

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).