(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile

C15H12N5O2- — CID 163132389

IUPAC(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile
SMILESCn1c([C@@H](C#N)c2ncccc2N([O-])O)nc2ccccc21
InChIInChI=1S/C15H12N5O2/c1-19-12-6-3-2-5-11(12)18-15(19)10(9-16)14-13(20(21)22)7-4-8-17-14/h2-8,10,21H,1H3/q-1/t10-/m0/s1
InChIKeyDFNBJOBXUAMFEB-JTQLQIEISA-N
MW294.29 g/mol
LogP2.32
Rot. Bonds3

About (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile

(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile (PubChem CID 163132389) has the molecular formula C15H12N5O2- and a molecular weight of 294.29 g/mol. Its IUPAC name is (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile
PubChem CID163132389
Molecular FormulaC15H12N5O2-
Molecular Weight294.29 g/mol
Exact Mass294.10
IUPAC Name(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile
SMILESCn1c([C@@H](C#N)c2ncccc2N([O-])O)nc2ccccc21
InChIInChI=1S/C15H12N5O2/c1-19-12-6-3-2-5-11(12)18-15(19)10(9-16)14-13(20(21)22)7-4-8-17-14/h2-8,10,21H,1H3/q-1/t10-/m0/s1
InChIKeyDFNBJOBXUAMFEB-JTQLQIEISA-N
XLogP2.32
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
2-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile
CID 4055638
(E)-4-methyl-2-(1-methylbenzimidazol-2-yl)-3-oxohex-4-enenitrile
CID 132969255
(2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile
CID 97254457
5-ethylsulfanyl-2-(1-methylbenzimidazol-2-yl)-3-oxopentanenitrile
CID 87011599
2-(1-methylbenzimidazol-2-yl)-3-(3-methylfuran-2-yl)-3-oxopropanenitrile
CID 78869257
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
(2S)-3-(4-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
CID 25390317
4-(4-ethylphenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxobutanenitrile
CID 4600376
(2S)-2-(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile
CID 40920812
3-hydroxy-4-methyl-2-(1-methylbenzimidazol-2-yl)pent-2-enenitrile
CID 5051221

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile?
The IUPAC name of (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile (CID 163132389) is (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile.
What is the SMILES notation for (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile?
The canonical SMILES for (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile is Cn1c([C@@H](C#N)c2ncccc2N([O-])O)nc2ccccc21.
What is the InChIKey of (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile?
The InChIKey is DFNBJOBXUAMFEB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H12N5O2/c1-19-12-6-3-2-5-11(12)18-15(19)10(9-16)14-13(20(21)22)7-4-8-17-14/h2-8,10,21H,1H3/q-1/t10-/m0/s1.
What are the key properties of (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile?
(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile has a molecular weight of 294.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-(1-methylbenzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 163132389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).