1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine

C19H18N4 — CID 140706711

IUPAC1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine
SMILESCc1cccc(N2CN(c3cccc(C)c3)c3nccnc32)c1
InChIInChI=1S/C19H18N4/c1-14-5-3-7-16(11-14)22-13-23(17-8-4-6-15(2)12-17)19-18(22)20-9-10-21-19/h3-12H,13H2,1-2H3
InChIKeyXKFJSMXACZMELP-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.34
Rot. Bonds2

About 1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine

1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine (PubChem CID 140706711) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine
PubChem CID140706711
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine
SMILESCc1cccc(N2CN(c3cccc(C)c3)c3nccnc32)c1
InChIInChI=1S/C19H18N4/c1-14-5-3-7-16(11-14)22-13-23(17-8-4-6-15(2)12-17)19-18(22)20-9-10-21-19/h3-12H,13H2,1-2H3
InChIKeyXKFJSMXACZMELP-UHFFFAOYSA-N
XLogP4.34
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[3-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)phenyl]sulfanylphenyl]-2H-imidazo[4,5-b]pyrazine
CID 156666849
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 172522404
3-methyl-1-(3-methylphenyl)piperidin-2-one
CID 21249686
4,10,16,22-tetrakis(3-methylphenyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-3,11,15,23-tetrone
CID 100991495
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 154829084
1,1-dimethyl-4-(3-methylphenyl)piperazin-1-ium iodide
CID 11099608
(3aR,4R,7S,7aS)-2-(3-methylphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11890781
N-benzyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 154179390
2,5-dimethyl-1-(3-methylphenyl)pyrrolidine
CID 90931230
5-methyl-1-(3-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79504921

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of 1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine (CID 140706711) is 1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine is Cc1cccc(N2CN(c3cccc(C)c3)c3nccnc32)c1.
What is the InChIKey of 1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
The InChIKey is XKFJSMXACZMELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-14-5-3-7-16(11-14)22-13-23(17-8-4-6-15(2)12-17)19-18(22)20-9-10-21-19/h3-12H,13H2,1-2H3.
What are the key properties of 1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine?
1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine has a molecular weight of 302.38 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylphenyl)-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 140706711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).