4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one

C19H14N4O3 — CID 135638352

IUPAC4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one
SMILESCc1cc(O)c(/C=N/c2ccc3nc(-c4cccnc4)[nH]c3c2)c(=O)o1
InChIInChI=1S/C19H14N4O3/c1-11-7-17(24)14(19(25)26-11)10-21-13-4-5-15-16(8-13)23-18(22-15)12-3-2-6-20-9-12/h2-10,24H,1H3,(H,22,23)/b21-10+
InChIKeyGJODZSDGEMLTHR-UFFVCSGVSA-N
MW346.35 g/mol
LogP3.34
Rot. Bonds3

About 4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one

4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one (PubChem CID 135638352) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one
PubChem CID135638352
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one
SMILESCc1cc(O)c(/C=N/c2ccc3nc(-c4cccnc4)[nH]c3c2)c(=O)o1
InChIInChI=1S/C19H14N4O3/c1-11-7-17(24)14(19(25)26-11)10-21-13-4-5-15-16(8-13)23-18(22-15)12-3-2-6-20-9-12/h2-10,24H,1H3,(H,22,23)/b21-10+
InChIKeyGJODZSDGEMLTHR-UFFVCSGVSA-N
XLogP3.34
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
CID 169368117
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
2-[[3-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol
CID 682053
1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
CID 15999560
3-[[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-4-hydroxy-6-methylpyran-2-one
CID 135638338
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol
CID 135470120
2,4-dinitro-6-[(2-phenyl-3H-benzimidazol-5-yl)iminomethyl]benzene-1,3-diol
CID 4159625
3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]iminomethyl]-4-hydroxy-6-methylpyran-2-one
CID 135638382
7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
CID 22162187
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 53370749
1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
CID 4067599

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one (CID 135638352) is 4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one is Cc1cc(O)c(/C=N/c2ccc3nc(-c4cccnc4)[nH]c3c2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one?
The InChIKey is GJODZSDGEMLTHR-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H14N4O3/c1-11-7-17(24)14(19(25)26-11)10-21-13-4-5-15-16(8-13)23-18(22-15)12-3-2-6-20-9-12/h2-10,24H,1H3,(H,22,23)/b21-10+.
What are the key properties of 4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one?
4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one has a molecular weight of 346.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one is sourced from PubChem (CID 135638352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).