5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide

C20H19N3O2 — CID 46971081

IUPAC5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCc3nc4ccccc4n3C)cc2c1
InChIInChI=1S/C20H19N3O2/c1-13-7-8-17-14(11-13)12-18(25-17)20(24)21-10-9-19-22-15-5-3-4-6-16(15)23(19)2/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyFOEVHMSRITUVAC-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.60
Rot. Bonds4

About 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide

5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 46971081) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID46971081
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCc3nc4ccccc4n3C)cc2c1
InChIInChI=1S/C20H19N3O2/c1-13-7-8-17-14(11-13)12-18(25-17)20(24)21-10-9-19-22-15-5-3-4-6-16(15)23(19)2/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyFOEVHMSRITUVAC-UHFFFAOYSA-N
XLogP3.60
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide
CID 42479573
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
CID 71855698
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
7-methyl-N-(2-phenylethyl)furo[2,3-b]quinoline-2-carboxamide
CID 22582807
methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
CID 71279102

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide (CID 46971081) is 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCCc3nc4ccccc4n3C)cc2c1.
What is the InChIKey of 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is FOEVHMSRITUVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-7-8-17-14(11-13)12-18(25-17)20(24)21-10-9-19-22-15-5-3-4-6-16(15)23(19)2/h3-8,11-12H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46971081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).