2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile

C16H22N4 — CID 82311189

IUPAC2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
SMILESCCc1ccc2c(c1)nc(CN(CC)CC)n2CC#N
InChIInChI=1S/C16H22N4/c1-4-13-7-8-15-14(11-13)18-16(20(15)10-9-17)12-19(5-2)6-3/h7-8,11H,4-6,10,12H2,1-3H3
InChIKeyIFHQFOLFTQRAIB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.96
Rot. Bonds6

About 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile

2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile (PubChem CID 82311189) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
PubChem CID82311189
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
SMILESCCc1ccc2c(c1)nc(CN(CC)CC)n2CC#N
InChIInChI=1S/C16H22N4/c1-4-13-7-8-15-14(11-13)18-16(20(15)10-9-17)12-19(5-2)6-3/h7-8,11H,4-6,10,12H2,1-3H3
InChIKeyIFHQFOLFTQRAIB-UHFFFAOYSA-N
XLogP2.96
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile
CID 82311164
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol
CID 82311680
2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311171
2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311169
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311196
2-(1,5-diethylbenzimidazol-2-yl)acetonitrile
CID 82333726
2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311241
2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile
CID 82311127
3-[2-(diethylaminomethyl)-5-methoxybenzimidazol-1-yl]propanenitrile
CID 82311542
2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile
CID 82311201
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 82333725
3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine
CID 82310788

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile (CID 82311189) is 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile is CCc1ccc2c(c1)nc(CN(CC)CC)n2CC#N.
What is the InChIKey of 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile?
The InChIKey is IFHQFOLFTQRAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-13-7-8-15-14(11-13)18-16(20(15)10-9-17)12-19(5-2)6-3/h7-8,11H,4-6,10,12H2,1-3H3.
What are the key properties of 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile?
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).