1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen

C23H17N5O2 — CID 143998309

IUPAC1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen
SMILESO=C(c1ccc(Oc2nccnc2-c2ccncc2)cc1)c1nc2ccccc2[nH]1.[H][H]
InChIInChI=1S/C23H15N5O2.H2/c29-21(22-27-18-3-1-2-4-19(18)28-22)16-5-7-17(8-6-16)30-23-20(25-13-14-26-23)15-9-11-24-12-10-15;/h1-14H,(H,27,28);1H
InChIKeyMLFQXIHBFDVJQA-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.68
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen

1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen (PubChem CID 143998309) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen
PubChem CID143998309
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen
SMILESO=C(c1ccc(Oc2nccnc2-c2ccncc2)cc1)c1nc2ccccc2[nH]1.[H][H]
InChIInChI=1S/C23H15N5O2.H2/c29-21(22-27-18-3-1-2-4-19(18)28-22)16-5-7-17(8-6-16)30-23-20(25-13-14-26-23)15-9-11-24-12-10-15;/h1-14H,(H,27,28);1H
InChIKeyMLFQXIHBFDVJQA-UHFFFAOYSA-N
XLogP4.68
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281
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CID 59351234
1H-benzimidazol-2-yl-[4-[3-(4-methylcyclohexen-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 91084844
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CID 59326938
1H-benzimidazol-2-yl-[4-[[5-methyl-3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326807
1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326971
3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 46207821
1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327120
1H-benzimidazol-2-yl-[4-[3-[(4Z)-4-(methoxymethylidene)cyclohexen-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 163884753
3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile
CID 59326958
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen?
The IUPAC name of 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen (CID 143998309) is 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen is O=C(c1ccc(Oc2nccnc2-c2ccncc2)cc1)c1nc2ccccc2[nH]1.[H][H].
What is the InChIKey of 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen?
The InChIKey is MLFQXIHBFDVJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O2.H2/c29-21(22-27-18-3-1-2-4-19(18)28-22)16-5-7-17(8-6-16)30-23-20(25-13-14-26-23)15-9-11-24-12-10-15;/h1-14H,(H,27,28);1H.
What are the key properties of 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen?
1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen has a molecular weight of 395.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen is sourced from PubChem (CID 143998309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).