2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine

C17H18N4 — CID 71973938

IUPAC2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine
SMILESCc1ccccc1CCCn1ccnc1-c1cnccn1
InChIInChI=1S/C17H18N4/c1-14-5-2-3-6-15(14)7-4-11-21-12-10-20-17(21)16-13-18-8-9-19-16/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3
InChIKeyOCAAZAHMRWSSNU-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.28
Rot. Bonds5

About 2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine

2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine (PubChem CID 71973938) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine.

Molecular Properties

Compound Name2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine
PubChem CID71973938
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine
SMILESCc1ccccc1CCCn1ccnc1-c1cnccn1
InChIInChI=1S/C17H18N4/c1-14-5-2-3-6-15(14)7-4-11-21-12-10-20-17(21)16-13-18-8-9-19-16/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3
InChIKeyOCAAZAHMRWSSNU-UHFFFAOYSA-N
XLogP3.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine?
The IUPAC name of 2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine (CID 71973938) is 2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine.
What is the SMILES notation for 2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine?
The canonical SMILES for 2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine is Cc1ccccc1CCCn1ccnc1-c1cnccn1.
What is the InChIKey of 2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine?
The InChIKey is OCAAZAHMRWSSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-14-5-2-3-6-15(14)7-4-11-21-12-10-20-17(21)16-13-18-8-9-19-16/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3.
What are the key properties of 2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine?
2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine has a molecular weight of 278.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-methylphenyl)propyl]imidazol-2-yl]pyrazine is sourced from PubChem (CID 71973938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).