3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide

C17H13N3O3 — CID 27160886

IUPAC3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)oc2ccccc12
InChIInChI=1S/C17H13N3O3/c1-9-11-4-2-3-5-14(11)23-15(9)16(21)18-10-6-7-12-13(8-10)20-17(22)19-12/h2-8H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyJXLJYSDCNZDPBN-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.16
Rot. Bonds2

About 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide

3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 27160886) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID27160886
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)oc2ccccc12
InChIInChI=1S/C17H13N3O3/c1-9-11-4-2-3-5-14(11)23-15(9)16(21)18-10-6-7-12-13(8-10)20-17(22)19-12/h2-8H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyJXLJYSDCNZDPBN-UHFFFAOYSA-N
XLogP3.16
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide
CID 47825946
N-(4-fluoro-3-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9076846
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7944836
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 788573
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 16546118
2-dibenzofuran-2-yloxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 26645002
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
3-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-1-benzofuran-2-carboxamide
CID 171138531

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide (CID 27160886) is 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is JXLJYSDCNZDPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-9-11-4-2-3-5-14(11)23-15(9)16(21)18-10-6-7-12-13(8-10)20-17(22)19-12/h2-8H,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide?
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27160886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).