2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile

C16H21N5 — CID 82311223

IUPAC2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile
SMILESCc1ccc2c(c1)nc(C(C)N1CCNCC1)n2CC#N
InChIInChI=1S/C16H21N5/c1-12-3-4-15-14(11-12)19-16(21(15)8-5-17)13(2)20-9-6-18-7-10-20/h3-4,11,13,18H,6-10H2,1-2H3
InChIKeyIQCWWSDJPMROBS-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.83
Rot. Bonds3

About 2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile

2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile (PubChem CID 82311223) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile
PubChem CID82311223
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile
SMILESCc1ccc2c(c1)nc(C(C)N1CCNCC1)n2CC#N
InChIInChI=1S/C16H21N5/c1-12-3-4-15-14(11-12)19-16(21(15)8-5-17)13(2)20-9-6-18-7-10-20/h3-4,11,13,18H,6-10H2,1-2H3
InChIKeyIQCWWSDJPMROBS-UHFFFAOYSA-N
XLogP1.83
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311237
2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid
CID 82310922
6-chloro-1-ethyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 115472704
3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311556
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311196
2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311169
1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315
3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311578
5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316185
3-methyl-4-oxo-2-(1-piperazin-1-ylethyl)quinazoline-6-carbonitrile
CID 142977081
2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
CID 62316014
2-(1-chloroethyl)-1-(2-cyclopropylpropyl)-5-methylbenzimidazole
CID 113475669

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile (CID 82311223) is 2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile is Cc1ccc2c(c1)nc(C(C)N1CCNCC1)n2CC#N.
What is the InChIKey of 2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is IQCWWSDJPMROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-3-4-15-14(11-12)19-16(21(15)8-5-17)13(2)20-9-6-18-7-10-20/h3-4,11,13,18H,6-10H2,1-2H3.
What are the key properties of 2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile?
2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 283.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).