N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide

C22H23N3O2 — CID 46551114

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
SMILESCCc1nc2ccccc2n1CC(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C22H23N3O2/c1-4-21-23-17-10-6-7-11-18(17)25(21)14-22(26)24(3)15(2)20-13-16-9-5-8-12-19(16)27-20/h5-13,15H,4,14H2,1-3H3
InChIKeyBTXILDVSCXUBCB-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.56
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide (PubChem CID 46551114) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
PubChem CID46551114
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
SMILESCCc1nc2ccccc2n1CC(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C22H23N3O2/c1-4-21-23-17-10-6-7-11-18(17)25(21)14-22(26)24(3)15(2)20-13-16-9-5-8-12-19(16)27-20/h5-13,15H,4,14H2,1-3H3
InChIKeyBTXILDVSCXUBCB-UHFFFAOYSA-N
XLogP4.56
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 16996472
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 46551064
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 134019422
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 111336371
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46550846
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
N-benzyl-2-(2-ethylbenzimidazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500579
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-methylacetamide
CID 46421732
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119582009
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 39976237

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide (CID 46551114) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide is CCc1nc2ccccc2n1CC(=O)N(C)C(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide?
The InChIKey is BTXILDVSCXUBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-21-23-17-10-6-7-11-18(17)25(21)14-22(26)24(3)15(2)20-13-16-9-5-8-12-19(16)27-20/h5-13,15H,4,14H2,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide has a molecular weight of 361.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 46551114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).