5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide

C17H15N3O3 — CID 167203151

IUPAC5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide
SMILESC=C/C=C\c1occ(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C
InChIInChI=1S/C17H15N3O3/c1-3-4-5-15-10(2)12(9-23-15)16(21)18-11-6-7-13-14(8-11)20-17(22)19-13/h3-9H,1H2,2H3,(H,18,21)(H2,19,20,22)/b5-4-
InChIKeyKZANLIVIULRPAA-PLNGDYQASA-N
MW309.33 g/mol
LogP3.21
Rot. Bonds4

About 5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide

5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide (PubChem CID 167203151) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide
PubChem CID167203151
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide
SMILESC=C/C=C\c1occ(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C
InChIInChI=1S/C17H15N3O3/c1-3-4-5-15-10(2)12(9-23-15)16(21)18-11-6-7-13-14(8-11)20-17(22)19-13/h3-9H,1H2,2H3,(H,18,21)(H2,19,20,22)/b5-4-
InChIKeyKZANLIVIULRPAA-PLNGDYQASA-N
XLogP3.21
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 70877699
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide
CID 27160886
2-chloro-5-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 78769975
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
CID 26017452
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
5-bromo-2-iodo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 34749980
trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 51532166
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140
2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624739
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide (CID 167203151) is 5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide is C=C/C=C\c1occ(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide?
The InChIKey is KZANLIVIULRPAA-PLNGDYQASA-N. The full InChI is InChI=1S/C17H15N3O3/c1-3-4-5-15-10(2)12(9-23-15)16(21)18-11-6-7-13-14(8-11)20-17(22)19-13/h3-9H,1H2,2H3,(H,18,21)(H2,19,20,22)/b5-4-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide?
5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-3-carboxamide is sourced from PubChem (CID 167203151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).