6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine

C18H22N6O — CID 58303307

IUPAC6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine
SMILESCCOc1ccc2c(c1)ncn2-c1cncc(N[C@@H]2CCCNC2)n1
InChIInChI=1S/C18H22N6O/c1-2-25-14-5-6-16-15(8-14)21-12-24(16)18-11-20-10-17(23-18)22-13-4-3-7-19-9-13/h5-6,8,10-13,19H,2-4,7,9H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyISUCHCGNMCQGSH-CYBMUJFWSA-N
MW338.42 g/mol
LogP2.38
Rot. Bonds5

About 6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine

6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine (PubChem CID 58303307) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine
PubChem CID58303307
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine
SMILESCCOc1ccc2c(c1)ncn2-c1cncc(N[C@@H]2CCCNC2)n1
InChIInChI=1S/C18H22N6O/c1-2-25-14-5-6-16-15(8-14)21-12-24(16)18-11-20-10-17(23-18)22-13-4-3-7-19-9-13/h5-6,8,10-13,19H,2-4,7,9H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyISUCHCGNMCQGSH-CYBMUJFWSA-N
XLogP2.38
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine?
The IUPAC name of 6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine (CID 58303307) is 6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine is CCOc1ccc2c(c1)ncn2-c1cncc(N[C@@H]2CCCNC2)n1.
What is the InChIKey of 6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine?
The InChIKey is ISUCHCGNMCQGSH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N6O/c1-2-25-14-5-6-16-15(8-14)21-12-24(16)18-11-20-10-17(23-18)22-13-4-3-7-19-9-13/h5-6,8,10-13,19H,2-4,7,9H2,1H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine?
6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine has a molecular weight of 338.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 58303307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).