1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone

C26H22N4O3 — CID 59326901

IUPAC1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CCC1
InChIInChI=1S/C26H22N4O3/c1-17(31)30-15-5-6-19(16-30)21-7-4-14-27-26(21)33-20-12-10-18(11-13-20)24(32)25-28-22-8-2-3-9-23(22)29-25/h2-4,7-14,16H,5-6,15H2,1H3,(H,28,29)
InChIKeyJDLACFHGYMHKPJ-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.96
Rot. Bonds5

About 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone

1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 59326901) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID59326901
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CCC1
InChIInChI=1S/C26H22N4O3/c1-17(31)30-15-5-6-19(16-30)21-7-4-14-27-26(21)33-20-12-10-18(11-13-20)24(32)25-28-22-8-2-3-9-23(22)29-25/h2-4,7-14,16H,5-6,15H2,1H3,(H,28,29)
InChIKeyJDLACFHGYMHKPJ-UHFFFAOYSA-N
XLogP4.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

Amg 579
CID 59351313
1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
CID 59326858
(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389
4-{[2-({3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11489166
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037364
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040627
4-({2-[(4-tert-butylphenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040656
4-({2-[(2-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040783
N-methyl-4-({2-[methyl(phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 22040802

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone (CID 59326901) is 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1C=C(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CCC1.
What is the InChIKey of 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is JDLACFHGYMHKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-17(31)30-15-5-6-19(16-30)21-7-4-14-27-26(21)33-20-12-10-18(11-13-20)24(32)25-28-22-8-2-3-9-23(22)29-25/h2-4,7-14,16H,5-6,15H2,1H3,(H,28,29).
What are the key properties of 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 438.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 59326901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).