5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile

C17H20N4S — CID 128979943

IUPAC5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CN2CCCC2c2nc3c([nH]2)CCCC3)c1
InChIInChI=1S/C17H20N4S/c18-9-12-8-13(22-11-12)10-21-7-3-6-16(21)17-19-14-4-1-2-5-15(14)20-17/h8,11,16H,1-7,10H2,(H,19,20)
InChIKeyIPKSPVVNPBULGV-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.56
Rot. Bonds3

About 5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile

5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile (PubChem CID 128979943) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile
PubChem CID128979943
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CN2CCCC2c2nc3c([nH]2)CCCC3)c1
InChIInChI=1S/C17H20N4S/c18-9-12-8-13(22-11-12)10-21-7-3-6-16(21)17-19-14-4-1-2-5-15(14)20-17/h8,11,16H,1-7,10H2,(H,19,20)
InChIKeyIPKSPVVNPBULGV-UHFFFAOYSA-N
XLogP3.56
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-oxolan-2-yl]-4-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129334464
2-methoxy-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129473785
4-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiadiazole
CID 128979973
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
2-ethyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 129477813
2-[(2S)-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129338470
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 128967624
3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 129473497
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719
2-[(2S)-1-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129342670
3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129477485

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile (CID 128979943) is 5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile is N#Cc1csc(CN2CCCC2c2nc3c([nH]2)CCCC3)c1.
What is the InChIKey of 5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile?
The InChIKey is IPKSPVVNPBULGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c18-9-12-8-13(22-11-12)10-21-7-3-6-16(21)17-19-14-4-1-2-5-15(14)20-17/h8,11,16H,1-7,10H2,(H,19,20).
What are the key properties of 5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile?
5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile has a molecular weight of 312.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 128979943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).