2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile

C15H12N4O2 — CID 146000277

IUPAC2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile
SMILESCCn1c(=O)[nH]c2cccc(Oc3cc(C#N)ccn3)c21
InChIInChI=1S/C15H12N4O2/c1-2-19-14-11(18-15(19)20)4-3-5-12(14)21-13-8-10(9-16)6-7-17-13/h3-8H,2H2,1H3,(H,18,20)
InChIKeyUHCLQRVKFKAXKS-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.41
Rot. Bonds3

About 2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile

2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile (PubChem CID 146000277) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile
PubChem CID146000277
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile
SMILESCCn1c(=O)[nH]c2cccc(Oc3cc(C#N)ccn3)c21
InChIInChI=1S/C15H12N4O2/c1-2-19-14-11(18-15(19)20)4-3-5-12(14)21-13-8-10(9-16)6-7-17-13/h3-8H,2H2,1H3,(H,18,20)
InChIKeyUHCLQRVKFKAXKS-UHFFFAOYSA-N
XLogP2.41
TPSA83.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-4-carboxamide
CID 127043287
6-[4-[2-[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]propyl]phenoxy]pyridine-3-carbonitrile
CID 44420432
6-[4-[2-[[(2S)-2-hydroxy-3-[(3-methyl-2-oxo-1H-benzimidazol-4-yl)oxy]propyl]amino]propyl]phenoxy]pyridine-3-carbonitrile
CID 44420448
6-[4-[2-[[(2S)-3-(1,3-dimethyl-2-oxobenzimidazol-4-yl)oxy-2-hydroxypropyl]amino]propyl]phenoxy]pyridine-3-carbonitrile
CID 44420441
6-[4-[2-[[(2S)-2-hydroxy-3-[(1-methyl-2-oxo-3H-benzimidazol-4-yl)oxy]propyl]amino]propyl]phenoxy]pyridine-3-carbonitrile
CID 44420457
1,3-dimethyl-5-({[2-(pyridin-2-yloxy)propyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 71677594
N-[3-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]phenyl]acetamide
CID 72145109
3-[(3-Methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile
CID 75369410
4-[(2-chloro-4-pyridyl)oxy]-3-ethyl-1H-benzimidazol-2-one
CID 145999115
4-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-2-carbonitrile
CID 145999135
N-(3-propan-2-yloxyphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 171093234
N-(2,5-Dimethoxyphenyl)-1-methyl-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazine-2-carboxamide
CID 20965014

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile (CID 146000277) is 2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile is CCn1c(=O)[nH]c2cccc(Oc3cc(C#N)ccn3)c21.
What is the InChIKey of 2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile?
The InChIKey is UHCLQRVKFKAXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-2-19-14-11(18-15(19)20)4-3-5-12(14)21-13-8-10(9-16)6-7-17-13/h3-8H,2H2,1H3,(H,18,20).
What are the key properties of 2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile?
2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile has a molecular weight of 280.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-oxo-1H-benzimidazol-4-yl)oxy]pyridine-4-carbonitrile is sourced from PubChem (CID 146000277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).