3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine

C16H17N5 — CID 58217151

IUPAC3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine
SMILESNc1ccc2ncn(-c3cncc(CCC4CC4)n3)c2c1
InChIInChI=1S/C16H17N5/c17-12-4-6-14-15(7-12)21(10-19-14)16-9-18-8-13(20-16)5-3-11-1-2-11/h4,6-11H,1-3,5,17H2
InChIKeyRGOZBQXDIDFEQO-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.74
Rot. Bonds4

About 3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine

3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine (PubChem CID 58217151) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine.

Molecular Properties

Compound Name3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine
PubChem CID58217151
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine
SMILESNc1ccc2ncn(-c3cncc(CCC4CC4)n3)c2c1
InChIInChI=1S/C16H17N5/c17-12-4-6-14-15(7-12)21(10-19-14)16-9-18-8-13(20-16)5-3-11-1-2-11/h4,6-11H,1-3,5,17H2
InChIKeyRGOZBQXDIDFEQO-UHFFFAOYSA-N
XLogP2.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloropyrazin-2-yl)benzimidazol-5-amine
CID 58217094
3-[6-(diethylamino)pyrazin-2-yl]benzimidazol-5-amine
CID 58217158
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
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
N-cyclopentyl-6-[6-(cyclopropylmethoxy)benzimidazol-1-yl]pyrazin-2-amine
CID 58303431
1-[6-(tert-butylamino)pyrazin-2-yl]benzimidazol-5-amine
CID 59783942
N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]ethenesulfonamide
CID 58217156
3-(diethylamino)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 58217104
N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide
CID 58217133
6-(5,6-dimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 80647713
1-(2-cyclopentylethyl)benzimidazol-5-amine
CID 62507553
N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 58217134

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine?
The IUPAC name of 3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine (CID 58217151) is 3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine.
What is the SMILES notation for 3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine?
The canonical SMILES for 3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine is Nc1ccc2ncn(-c3cncc(CCC4CC4)n3)c2c1.
What is the InChIKey of 3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine?
The InChIKey is RGOZBQXDIDFEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-12-4-6-14-15(7-12)21(10-19-14)16-9-18-8-13(20-16)5-3-11-1-2-11/h4,6-11H,1-3,5,17H2.
What are the key properties of 3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine?
3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine has a molecular weight of 279.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-cyclopropylethyl)pyrazin-2-yl]benzimidazol-5-amine is sourced from PubChem (CID 58217151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).