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-methylpiperidin-2-one

C48H40N10O6 — CID 159980018

IUPAC4-[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-methylpiperidin-2-one
SMILESCN1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)=CC1=O.CN1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O
InChIInChI=1S/C24H21N5O3.C24H19N5O3/c2*1-29-13-10-16(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/h2-9,11-12,16H,10,13-14H2,1H3,(H,27,28);2-9,11-12,14H,10,13H2,1H3,(H,27,28)
InChIKeyOFQFQELAAPZJHR-UHFFFAOYSA-N
MW852.91 g/mol
LogP7.33
Rot. Bonds10

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-methylpiperidin-2-one

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-methylpiperidin-2-one (PubChem CID 159980018) has the molecular formula C48H40N10O6 and a molecular weight of 852.91 g/mol. Its IUPAC name is 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-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[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-methylpiperidin-2-one
PubChem CID159980018
Molecular FormulaC48H40N10O6
Molecular Weight852.91 g/mol
Exact Mass852.31
IUPAC Name4-[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-methylpiperidin-2-one
SMILESCN1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)=CC1=O.CN1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O
InChIInChI=1S/C24H21N5O3.C24H19N5O3/c2*1-29-13-10-16(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/h2-9,11-12,16H,10,13-14H2,1H3,(H,27,28);2-9,11-12,14H,10,13H2,1H3,(H,27,28)
InChIKeyOFQFQELAAPZJHR-UHFFFAOYSA-N
XLogP7.33
TPSA202.14 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500852.91
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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-methylpiperidin-2-one with MolForge

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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;4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperidin-2-one?
The IUPAC name 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-methylpiperidin-2-one (CID 159980018) is 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-methylpiperidin-2-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;4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperidin-2-one?
The canonical SMILES for 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-methylpiperidin-2-one is CN1CCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)=CC1=O.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;4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperidin-2-one?
The InChIKey is OFQFQELAAPZJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3.C24H19N5O3/c2*1-29-13-10-16(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/h2-9,11-12,16H,10,13-14H2,1H3,(H,27,28);2-9,11-12,14H,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-methylpiperidin-2-one?
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-methylpiperidin-2-one has a molecular weight of 852.91 g/mol, XLogP of 7.33, 10 rotatable bonds, 2 hydrogen bond donors, and 12 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;4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 159980018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).