6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide

C28H28N4O3 — CID 118755452

IUPAC6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)N(C)CC2Cc3ccccc3O2)c2c(c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C28H28N4O3/c1-18-29-25-15-22(30-19(2)33)14-24(27(25)32(18)16-20-9-5-4-6-10-20)28(34)31(3)17-23-13-21-11-7-8-12-26(21)35-23/h4-12,14-15,23H,13,16-17H2,1-3H3,(H,30,33)
InChIKeyJGKITSWDIONBKU-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.43
Rot. Bonds6

About 6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide

6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide (PubChem CID 118755452) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide
PubChem CID118755452
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)N(C)CC2Cc3ccccc3O2)c2c(c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C28H28N4O3/c1-18-29-25-15-22(30-19(2)33)14-24(27(25)32(18)16-20-9-5-4-6-10-20)28(34)31(3)17-23-13-21-11-7-8-12-26(21)35-23/h4-12,14-15,23H,13,16-17H2,1-3H3,(H,30,33)
InChIKeyJGKITSWDIONBKU-UHFFFAOYSA-N
XLogP4.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclobutyl-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 42276148
2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 45198971
N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide
CID 42164622
3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide
CID 42276090
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
3,5-diacetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methylbenzamide
CID 18204760
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50956664
methyl (2S)-1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 42164372
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 30956722
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 29023368
3-benzyl-2-methyl-6-(2-methylpropanoylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzimidazole-4-carboxamide
CID 42276187

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide?
The IUPAC name of 6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide (CID 118755452) is 6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide.
What is the SMILES notation for 6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide?
The canonical SMILES for 6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide is CC(=O)Nc1cc(C(=O)N(C)CC2Cc3ccccc3O2)c2c(c1)nc(C)n2Cc1ccccc1.
What is the InChIKey of 6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide?
The InChIKey is JGKITSWDIONBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-18-29-25-15-22(30-19(2)33)14-24(27(25)32(18)16-20-9-5-4-6-10-20)28(34)31(3)17-23-13-21-11-7-8-12-26(21)35-23/h4-12,14-15,23H,13,16-17H2,1-3H3,(H,30,33).
What are the key properties of 6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide?
6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-3-benzyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,2-dimethylbenzimidazole-4-carboxamide is sourced from PubChem (CID 118755452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).