4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one

C24H19N5O3 — CID 59351234

IUPAC4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one
SMILESCN1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)=CC1=O
InChIInChI=1S/C24H19N5O3/c1-29-13-10-16(14-20(29)30)21-24(26-12-11-25-21)32-17-8-6-15(7-9-17)22(31)23-27-18-4-2-3-5-19(18)28-23/h2-9,11-12,14H,10,13H2,1H3,(H,27,28)
InChIKeyMNBKHXOOKZPRRO-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.62
Rot. Bonds5

About 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one

4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one (PubChem CID 59351234) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one
PubChem CID59351234
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one
SMILESCN1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)=CC1=O
InChIInChI=1S/C24H19N5O3/c1-29-13-10-16(14-20(29)30)21-24(26-12-11-25-21)32-17-8-6-15(7-9-17)22(31)23-27-18-4-2-3-5-19(18)28-23/h2-9,11-12,14H,10,13H2,1H3,(H,27,28)
InChIKeyMNBKHXOOKZPRRO-UHFFFAOYSA-N
XLogP3.62
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one (CID 59351234) is 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one is CN1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)=CC1=O.
What is the InChIKey of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one?
The InChIKey is MNBKHXOOKZPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-29-13-10-16(14-20(29)30)21-24(26-12-11-25-21)32-17-8-6-15(7-9-17)22(31)23-27-18-4-2-3-5-19(18)28-23/h2-9,11-12,14H,10,13H2,1H3,(H,27,28).
What are the key properties of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one?
4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one has a molecular weight of 425.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 59351234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).