N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide

C16H17N3O2 — CID 112527535

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C16H17N3O2/c1-9-8-21-10(2)15(9)16(20)18-12-5-6-14-13(7-12)17-11(3)19(14)4/h5-8H,1-4H3,(H,18,20)
InChIKeyZOHJTZYKHYQJNQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.34
Rot. Bonds2

About N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide

N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide (PubChem CID 112527535) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide
PubChem CID112527535
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C16H17N3O2/c1-9-8-21-10(2)15(9)16(20)18-12-5-6-14-13(7-12)17-11(3)19(14)4/h5-8H,1-4H3,(H,18,20)
InChIKeyZOHJTZYKHYQJNQ-UHFFFAOYSA-N
XLogP3.34
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide
CID 112527200
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
N-(3-hydroxyphenyl)-2,4-dimethylfuran-3-carboxamide
CID 13019986
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethylfuran-3-carboxamide
CID 112521563
N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765870
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide (CID 112527535) is N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide is Cc1coc(C)c1C(=O)Nc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide?
The InChIKey is ZOHJTZYKHYQJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-8-21-10(2)15(9)16(20)18-12-5-6-14-13(7-12)17-11(3)19(14)4/h5-8H,1-4H3,(H,18,20).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide?
N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide is sourced from PubChem (CID 112527535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).