3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile

C16H16N6 — CID 133284481

IUPAC3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCCn1c(CCNc2nccnc2C#N)nc2ccccc21
InChIInChI=1S/C16H16N6/c1-2-22-14-6-4-3-5-12(14)21-15(22)7-8-19-16-13(11-17)18-9-10-20-16/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
InChIKeyLPBSBMWWKDYSDZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.37
Rot. Bonds5

About 3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile

3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 133284481) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile
PubChem CID133284481
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile
SMILESCCn1c(CCNc2nccnc2C#N)nc2ccccc21
InChIInChI=1S/C16H16N6/c1-2-22-14-6-4-3-5-12(14)21-15(22)7-8-19-16-13(11-17)18-9-10-20-16/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)
InChIKeyLPBSBMWWKDYSDZ-UHFFFAOYSA-N
XLogP2.37
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]quinazolin-4-amine
CID 133277373
2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 133304089
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936673
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
3-[(1-ethylbenzimidazol-2-yl)methylamino]benzonitrile
CID 61020625
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-fluoro-4-nitroaniline
CID 133277357

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile (CID 133284481) is 3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile is CCn1c(CCNc2nccnc2C#N)nc2ccccc21.
What is the InChIKey of 3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is LPBSBMWWKDYSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-2-22-14-6-4-3-5-12(14)21-15(22)7-8-19-16-13(11-17)18-9-10-20-16/h3-6,9-10H,2,7-8H2,1H3,(H,19,20).
What are the key properties of 3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile?
3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 292.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).