5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine

C19H17N5O2 — CID 54596309

IUPAC5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine
SMILESCOc1ccc(Oc2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)cc1
InChIInChI=1S/C19H17N5O2/c1-11-3-8-14-15(9-11)23-19(22-14)17-18(20)21-10-16(24-17)26-13-6-4-12(25-2)5-7-13/h3-10H,1-2H3,(H2,20,21)(H,22,23)
InChIKeyIYFXVKNRHGDBPW-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.71
Rot. Bonds4

About 5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine

5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine (PubChem CID 54596309) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine
PubChem CID54596309
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine
SMILESCOc1ccc(Oc2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)cc1
InChIInChI=1S/C19H17N5O2/c1-11-3-8-14-15(9-11)23-19(22-14)17-18(20)21-10-16(24-17)26-13-6-4-12(25-2)5-7-13/h3-10H,1-2H3,(H2,20,21)(H,22,23)
InChIKeyIYFXVKNRHGDBPW-UHFFFAOYSA-N
XLogP3.71
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol
CID 54596377
3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen
CID 158484254
CID 88572792
CID 88572792
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine
CID 46199405
2-[2-(1H-benzimidazol-2-yl)-5-[4-(1H-benzimidazol-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]phenyl]-6-methyl-1H-benzimidazole
CID 59762586
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen
CID 161154968
2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole
CID 66602195
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine (CID 54596309) is 5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine is COc1ccc(Oc2cnc(N)c(-c3nc4ccc(C)cc4[nH]3)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine?
The InChIKey is IYFXVKNRHGDBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11-3-8-14-15(9-11)23-19(22-14)17-18(20)21-10-16(24-17)26-13-6-4-12(25-2)5-7-13/h3-10H,1-2H3,(H2,20,21)(H,22,23).
What are the key properties of 5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine?
5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine has a molecular weight of 347.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 54596309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).