6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine

C21H19N5 — CID 141113733

IUPAC6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine
SMILESc1ccc2c(c1)CCC[C@@H]2Nc1cncc(-n2cnc3ccccc32)n1
InChIInChI=1S/C21H19N5/c1-2-8-16-15(6-1)7-5-10-17(16)24-20-12-22-13-21(25-20)26-14-23-18-9-3-4-11-19(18)26/h1-4,6,8-9,11-14,17H,5,7,10H2,(H,24,25)/t17-/m0/s1
InChIKeyZRJUAQJZGINVPL-KRWDZBQOSA-N
MW341.42 g/mol
LogP4.30
Rot. Bonds3

About 6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine

6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine (PubChem CID 141113733) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine
PubChem CID141113733
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine
SMILESc1ccc2c(c1)CCC[C@@H]2Nc1cncc(-n2cnc3ccccc32)n1
InChIInChI=1S/C21H19N5/c1-2-8-16-15(6-1)7-5-10-17(16)24-20-12-22-13-21(25-20)26-14-23-18-9-3-4-11-19(18)26/h1-4,6,8-9,11-14,17H,5,7,10H2,(H,24,25)/t17-/m0/s1
InChIKeyZRJUAQJZGINVPL-KRWDZBQOSA-N
XLogP4.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine (CID 141113733) is 6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine is c1ccc2c(c1)CCC[C@@H]2Nc1cncc(-n2cnc3ccccc32)n1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine?
The InChIKey is ZRJUAQJZGINVPL-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-8-16-15(6-1)7-5-10-17(16)24-20-12-22-13-21(25-20)26-14-23-18-9-3-4-11-19(18)26/h1-4,6,8-9,11-14,17H,5,7,10H2,(H,24,25)/t17-/m0/s1.
What are the key properties of 6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine?
6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine is sourced from PubChem (CID 141113733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).