2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile

C16H21N5 — CID 82311196

IUPAC2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
SMILESCCc1ccc2c(c1)nc(CN1CCNCC1)n2CC#N
InChIInChI=1S/C16H21N5/c1-2-13-3-4-15-14(11-13)19-16(21(15)8-5-17)12-20-9-6-18-7-10-20/h3-4,11,18H,2,6-10,12H2,1H3
InChIKeyCOTDXDXORHDQCD-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.53
Rot. Bonds4

About 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile

2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile (PubChem CID 82311196) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
PubChem CID82311196
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
SMILESCCc1ccc2c(c1)nc(CN1CCNCC1)n2CC#N
InChIInChI=1S/C16H21N5/c1-2-13-3-4-15-14(11-13)19-16(21(15)8-5-17)12-20-9-6-18-7-10-20/h3-4,11,18H,2,6-10,12H2,1H3
InChIKeyCOTDXDXORHDQCD-UHFFFAOYSA-N
XLogP1.53
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311687
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311189
5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316362
2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311161
5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316185
2-(1,5-diethylbenzimidazol-2-yl)acetonitrile
CID 82333726
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311144
4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82333781
5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole
CID 83967757
2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311241

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile (CID 82311196) is 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile is CCc1ccc2c(c1)nc(CN1CCNCC1)n2CC#N.
What is the InChIKey of 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is COTDXDXORHDQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-13-3-4-15-14(11-13)19-16(21(15)8-5-17)12-20-9-6-18-7-10-20/h3-4,11,18H,2,6-10,12H2,1H3.
What are the key properties of 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile?
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 283.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).