N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide

C16H15N5O — CID 58217133

IUPACN-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncn(-c3cncc(CC)n3)c2c1
InChIInChI=1S/C16H15N5O/c1-3-11-8-17-9-15(19-11)21-10-18-13-6-5-12(7-14(13)21)20-16(22)4-2/h4-10H,2-3H2,1H3,(H,20,22)
InChIKeyOALYDZPYYJXQSH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.50
Rot. Bonds4

About N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide

N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 58217133) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide
PubChem CID58217133
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncn(-c3cncc(CC)n3)c2c1
InChIInChI=1S/C16H15N5O/c1-3-11-8-17-9-15(19-11)21-10-18-13-6-5-12(7-14(13)21)20-16(22)4-2/h4-10H,2-3H2,1H3,(H,20,22)
InChIKeyOALYDZPYYJXQSH-UHFFFAOYSA-N
XLogP2.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 58217134
N-[3-[6-[[(2S)-butan-2-yl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 11416423
3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-amine;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 159480517
3-(diethylamino)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 58217104
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783930
N-[3-[6-(3-methoxyanilino)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783946
3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-amine;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-2-methylprop-2-enamide
CID 160696003
N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide
CID 58217156
N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide
CID 11437815
N-[3-[6-(diethylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-ynamide;N-[3-[6-(2-phenylethyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-(6-phenylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide
CID 158395067
N-[1-[6-(tert-butylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide
CID 11348280
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide (CID 58217133) is N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2ncn(-c3cncc(CC)n3)c2c1.
What is the InChIKey of N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide?
The InChIKey is OALYDZPYYJXQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-3-11-8-17-9-15(19-11)21-10-18-13-6-5-12(7-14(13)21)20-16(22)4-2/h4-10H,2-3H2,1H3,(H,20,22).
What are the key properties of N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide?
N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 293.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 58217133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).