2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine

C23H22N4O — CID 50958682

IUPAC2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine
SMILESCc1cnc(Cn2cnc(-c3ccccc3)c2COCc2ccccc2)cn1
InChIInChI=1S/C23H22N4O/c1-18-12-25-21(13-24-18)14-27-17-26-23(20-10-6-3-7-11-20)22(27)16-28-15-19-8-4-2-5-9-19/h2-13,17H,14-16H2,1H3
InChIKeyHKTIAPAPQYDLPY-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.41
Rot. Bonds7

About 2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine

2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine (PubChem CID 50958682) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine
PubChem CID50958682
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine
SMILESCc1cnc(Cn2cnc(-c3ccccc3)c2COCc2ccccc2)cn1
InChIInChI=1S/C23H22N4O/c1-18-12-25-21(13-24-18)14-27-17-26-23(20-10-6-3-7-11-20)22(27)16-28-15-19-8-4-2-5-9-19/h2-13,17H,14-16H2,1H3
InChIKeyHKTIAPAPQYDLPY-UHFFFAOYSA-N
XLogP4.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine?
The IUPAC name of 2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine (CID 50958682) is 2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine?
The canonical SMILES for 2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine is Cc1cnc(Cn2cnc(-c3ccccc3)c2COCc2ccccc2)cn1.
What is the InChIKey of 2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine?
The InChIKey is HKTIAPAPQYDLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-18-12-25-21(13-24-18)14-27-17-26-23(20-10-6-3-7-11-20)22(27)16-28-15-19-8-4-2-5-9-19/h2-13,17H,14-16H2,1H3.
What are the key properties of 2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine?
2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine has a molecular weight of 370.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine is sourced from PubChem (CID 50958682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).