4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one

C24H23N5O3 — CID 163510685

IUPAC4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one
SMILESCN1CCC(C2=NC=CNC2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O
InChIInChI=1S/C24H23N5O3/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/h2-9,11-12,16,24,26H,10,13-14H2,1H3,(H,27,28)
InChIKeyDCLBHIXQPPHAOD-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.88
Rot. Bonds5

About 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one

4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one (PubChem CID 163510685) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one
PubChem CID163510685
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one
SMILESCN1CCC(C2=NC=CNC2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O
InChIInChI=1S/C24H23N5O3/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/h2-9,11-12,16,24,26H,10,13-14H2,1H3,(H,27,28)
InChIKeyDCLBHIXQPPHAOD-UHFFFAOYSA-N
XLogP2.88
TPSA99.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
1-[4-(1H-benzimidazole-2-carbonyl)phenyl]-3-hydroxypyrrolidine-2,5-dione
CID 19354480
1H-benzimidazol-2-yl-[4-[3-(1-hydroxyazepan-4-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 71080373
4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methyl-2,3-dihydropyridin-6-one
CID 59351234
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
(3S)-3-[6-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3,4-dihydropyridin-5-yl]cyclopentan-1-one
CID 70889230
1H-benzimidazol-2-yl-[4-[3-[1-[(E)-1-methoxybut-2-en-2-yl]piperidin-4-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 143998274
1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone
CID 13162273
1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326779
1H-benzimidazol-2-yl-[4-[3-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 59351219
1-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 68608455
(4R)-N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethyl-2-oxopiperidine-4-carboxamide
CID 94037007

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one?
The IUPAC name of 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one (CID 163510685) is 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one.
What is the SMILES notation for 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one?
The canonical SMILES for 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one is CN1CCC(C2=NC=CNC2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O.
What is the InChIKey of 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one?
The InChIKey is DCLBHIXQPPHAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/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/h2-9,11-12,16,24,26H,10,13-14H2,1H3,(H,27,28).
What are the key properties of 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one?
4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one has a molecular weight of 429.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-1,2-dihydropyrazin-3-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 163510685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).