2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile

C16H14N4O2 — CID 39158040

IUPAC2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile
SMILESCOc1cc2nc(-c3cccnc3)n(CC#N)c2cc1OC
InChIInChI=1S/C16H14N4O2/c1-21-14-8-12-13(9-15(14)22-2)20(7-5-17)16(19-12)11-4-3-6-18-10-11/h3-4,6,8-10H,7H2,1-2H3
InChIKeyNADWEZLOQZFLKK-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.64
Rot. Bonds4

About 2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile

2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile (PubChem CID 39158040) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile
PubChem CID39158040
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile
SMILESCOc1cc2nc(-c3cccnc3)n(CC#N)c2cc1OC
InChIInChI=1S/C16H14N4O2/c1-21-14-8-12-13(9-15(14)22-2)20(7-5-17)16(19-12)11-4-3-6-18-10-11/h3-4,6,8-10H,7H2,1-2H3
InChIKeyNADWEZLOQZFLKK-UHFFFAOYSA-N
XLogP2.64
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile?
The IUPAC name of 2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile (CID 39158040) is 2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile?
The canonical SMILES for 2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile is COc1cc2nc(-c3cccnc3)n(CC#N)c2cc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile?
The InChIKey is NADWEZLOQZFLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-21-14-8-12-13(9-15(14)22-2)20(7-5-17)16(19-12)11-4-3-6-18-10-11/h3-4,6,8-10H,7H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile?
2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile has a molecular weight of 294.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile is sourced from PubChem (CID 39158040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).