N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide

C15H15N3O3 — CID 110785347

IUPACN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(CNC(=O)c3ccco3)ccc21
InChIInChI=1S/C15H15N3O3/c1-17-11-6-5-10(8-12(11)18(2)15(17)20)9-16-14(19)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,16,19)
InChIKeyVSFSADGXKZDMMN-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.40
Rot. Bonds3

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 110785347) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
PubChem CID110785347
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(CNC(=O)c3ccco3)ccc21
InChIInChI=1S/C15H15N3O3/c1-17-11-6-5-10(8-12(11)18(2)15(17)20)9-16-14(19)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,16,19)
InChIKeyVSFSADGXKZDMMN-UHFFFAOYSA-N
XLogP1.40
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
CID 90651448
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 110481071
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
CID 110775432
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
CID 5305578
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methyl-1-benzofuran-5-carboxamide
CID 72937054
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 90650071
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 110785343
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide
CID 91947970

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide (CID 110785347) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide is Cn1c(=O)n(C)c2cc(CNC(=O)c3ccco3)ccc21.
What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is VSFSADGXKZDMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-11-6-5-10(8-12(11)18(2)15(17)20)9-16-14(19)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,16,19).
What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide?
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110785347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).