1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone

C53H50N12O6 — CID 159495154

IUPAC1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone
SMILESCC(=O)N1CCCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1.CC(=O)n1ccnc1.O=C(c1ccc(Oc2nccnc2C2CCCNC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C25H23N5O3.C23H21N5O2.C5H6N2O/c1-16(31)30-14-4-5-18(15-30)22-25(27-13-12-26-22)33-19-10-8-17(9-11-19)23(32)24-28-20-6-2-3-7-21(20)29-24;29-21(22-27-18-5-1-2-6-19(18)28-22)15-7-9-17(10-8-15)30-23-20(25-12-13-26-23)16-4-3-11-24-14-16;1-5(8)7-3-2-6-4-7/h2-3,6-13,18H,4-5,14-15H2,1H3,(H,28,29);1-2,5-10,12-13,16,24H,3-4,11,14H2,(H,27,28);2-4H,1H3
InChIKeyLYRNRAQAMNPJDM-UHFFFAOYSA-N
MW951.06 g/mol
LogP8.49
Rot. Bonds10

About 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone

1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone (PubChem CID 159495154) has the molecular formula C53H50N12O6 and a molecular weight of 951.06 g/mol. Its IUPAC name is 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone
PubChem CID159495154
Molecular FormulaC53H50N12O6
Molecular Weight951.06 g/mol
Exact Mass950.40
IUPAC Name1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone
SMILESCC(=O)N1CCCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1.CC(=O)n1ccnc1.O=C(c1ccc(Oc2nccnc2C2CCCNC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C25H23N5O3.C23H21N5O2.C5H6N2O/c1-16(31)30-14-4-5-18(15-30)22-25(27-13-12-26-22)33-19-10-8-17(9-11-19)23(32)24-28-20-6-2-3-7-21(20)29-24;29-21(22-27-18-5-1-2-6-19(18)28-22)15-7-9-17(10-8-15)30-23-20(25-12-13-26-23)16-4-3-11-24-14-16;1-5(8)7-3-2-6-4-7/h2-3,6-13,18H,4-5,14-15H2,1H3,(H,28,29);1-2,5-10,12-13,16,24H,3-4,11,14H2,(H,27,28);2-4H,1H3
InChIKeyLYRNRAQAMNPJDM-UHFFFAOYSA-N
XLogP8.49
TPSA228.75 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.06
LogP ≤ 58.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone with MolForge

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Related Compounds

Amg 579
CID 59351313
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
(1H-benzo[d]imidazol-2-yl)(4-(3-(2-(trifluoromethyl)pyridin-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 46207696
1H-benzimidazol-2-yl-[4-[3-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 46207939
1H-benzimidazol-2-yl-[4-[3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 46208071
1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208072
1H-benzimidazol-2-yl-[4-[3-(4-methoxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208073
1H-benzimidazol-2-yl-[4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208209

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone?
The IUPAC name of 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone (CID 159495154) is 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone.
What is the SMILES notation for 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone?
The canonical SMILES for 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone is CC(=O)N1CCCC(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1.CC(=O)n1ccnc1.O=C(c1ccc(Oc2nccnc2C2CCCNC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone?
The InChIKey is LYRNRAQAMNPJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3.C23H21N5O2.C5H6N2O/c1-16(31)30-14-4-5-18(15-30)22-25(27-13-12-26-22)33-19-10-8-17(9-11-19)23(32)24-28-20-6-2-3-7-21(20)29-24;29-21(22-27-18-5-1-2-6-19(18)28-22)15-7-9-17(10-8-15)30-23-20(25-12-13-26-23)16-4-3-11-24-14-16;1-5(8)7-3-2-6-4-7/h2-3,6-13,18H,4-5,14-15H2,1H3,(H,28,29);1-2,5-10,12-13,16,24H,3-4,11,14H2,(H,27,28);2-4H,1H3.
What are the key properties of 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone?
1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone has a molecular weight of 951.06 g/mol, XLogP of 8.49, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone;1H-benzimidazol-2-yl-[4-(3-piperidin-3-ylpyrazin-2-yl)oxyphenyl]methanone;1-imidazol-1-ylethanone is sourced from PubChem (CID 159495154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).