4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol

C18H15N5O2 — CID 54596377

IUPAC4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol
SMILESCc1ccc2nc(-c3nc(Oc4ccc(O)cc4)cnc3N)[nH]c2c1
InChIInChI=1S/C18H15N5O2/c1-10-2-7-13-14(8-10)22-18(21-13)16-17(19)20-9-15(23-16)25-12-5-3-11(24)4-6-12/h2-9,24H,1H3,(H2,19,20)(H,21,22)
InChIKeyCLWKQEUFXCEPKS-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.41
Rot. Bonds3

About 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol

4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol (PubChem CID 54596377) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol.

Molecular Properties

Compound Name4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol
PubChem CID54596377
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol
SMILESCc1ccc2nc(-c3nc(Oc4ccc(O)cc4)cnc3N)[nH]c2c1
InChIInChI=1S/C18H15N5O2/c1-10-2-7-13-14(8-10)22-18(21-13)16-17(19)20-9-15(23-16)25-12-5-3-11(24)4-6-12/h2-9,24H,1H3,(H2,19,20)(H,21,22)
InChIKeyCLWKQEUFXCEPKS-UHFFFAOYSA-N
XLogP3.41
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenoxy)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine
CID 54596309
3-(6-methyl-1H-benzimidazol-2-yl)-5-phenoxypyrazin-2-amine;molecular hydrogen
CID 158484254
CID 88572792
CID 88572792
3-(6-methyl-1H-benzimidazol-2-yl)-5-[4-(trifluoromethyl)piperazin-1-yl]pyrazin-2-amine
CID 46199405
5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 54596779
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-2-one;molecular hydrogen
CID 161154968
1-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N-methylpyrrolidine-3-carboxamide
CID 66744847
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol
CID 66725297
3-(6-methyl-1H-benzimidazol-2-yl)-5-(1-oxaspiro[4.5]dec-7-en-8-yl)pyrazin-2-amine
CID 70886452
2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol
CID 137016825

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol?
The IUPAC name of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol (CID 54596377) is 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol.
What is the SMILES notation for 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol?
The canonical SMILES for 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol is Cc1ccc2nc(-c3nc(Oc4ccc(O)cc4)cnc3N)[nH]c2c1.
What is the InChIKey of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol?
The InChIKey is CLWKQEUFXCEPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-10-2-7-13-14(8-10)22-18(21-13)16-17(19)20-9-15(23-16)25-12-5-3-11(24)4-6-12/h2-9,24H,1H3,(H2,19,20)(H,21,22).
What are the key properties of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol?
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol has a molecular weight of 333.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]oxyphenol is sourced from PubChem (CID 54596377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).