5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one

C25H24N4O3 — CID 167295101

IUPAC5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one
SMILESC=NC1=C(/C(=C\C)Oc2ccc3c(c2)CC(c2nc4ccccc4[nH]2)CO3)CCC(=O)N1
InChIInChI=1S/C25H24N4O3/c1-3-21(18-9-11-23(30)29-25(18)26-2)32-17-8-10-22-15(13-17)12-16(14-31-22)24-27-19-6-4-5-7-20(19)28-24/h3-8,10,13,16H,2,9,11-12,14H2,1H3,(H,27,28)(H,29,30)/b21-3+
InChIKeyDHPSIHRVBQPHJW-WSVFEZOKSA-N
MW428.49 g/mol
LogP4.39
Rot. Bonds5

About 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one

5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one (PubChem CID 167295101) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one
PubChem CID167295101
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one
SMILESC=NC1=C(/C(=C\C)Oc2ccc3c(c2)CC(c2nc4ccccc4[nH]2)CO3)CCC(=O)N1
InChIInChI=1S/C25H24N4O3/c1-3-21(18-9-11-23(30)29-25(18)26-2)32-17-8-10-22-15(13-17)12-16(14-31-22)24-27-19-6-4-5-7-20(19)28-24/h3-8,10,13,16H,2,9,11-12,14H2,1H3,(H,27,28)(H,29,30)/b21-3+
InChIKeyDHPSIHRVBQPHJW-WSVFEZOKSA-N
XLogP4.39
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one with MolForge

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Related Compounds

5-[[3-(4-methyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561075
2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
CID 63590184
5-[[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163909174
2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine
CID 55213366
(Z)-3-imino-2-[2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]prop-1-en-1-amine
CID 143822040
5-[[3-[4-[(dimethylamino)methyl]-6-methyl-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561076
2-(6-propoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
CID 58164372
5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118948531
5-[[3-(5-acetyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712938
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
(Z)-3-[2-(3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]-4-iminobut-2-en-2-amine
CID 143822032
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 18133809

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one (CID 167295101) is 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one is C=NC1=C(/C(=C\C)Oc2ccc3c(c2)CC(c2nc4ccccc4[nH]2)CO3)CCC(=O)N1.
What is the InChIKey of 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is DHPSIHRVBQPHJW-WSVFEZOKSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-21(18-9-11-23(30)29-25(18)26-2)32-17-8-10-22-15(13-17)12-16(14-31-22)24-27-19-6-4-5-7-20(19)28-24/h3-8,10,13,16H,2,9,11-12,14H2,1H3,(H,27,28)(H,29,30)/b21-3+.
What are the key properties of 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one?
5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 428.49 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-[[3-(1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]prop-1-enyl]-6-(methylideneamino)-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 167295101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).