3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide

C23H25N3O4 — CID 55588775

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)NC(C)c2cc3cccc(OC)c3o2)c2ccccc21
InChIInChI=1S/C23H25N3O4/c1-4-25-17-9-5-6-10-18(17)26(23(25)28)13-12-21(27)24-15(2)20-14-16-8-7-11-19(29-3)22(16)30-20/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyPZRKUSQMSNMCMV-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.85
Rot. Bonds7

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide (PubChem CID 55588775) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
PubChem CID55588775
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)NC(C)c2cc3cccc(OC)c3o2)c2ccccc21
InChIInChI=1S/C23H25N3O4/c1-4-25-17-9-5-6-10-18(17)26(23(25)28)13-12-21(27)24-15(2)20-14-16-8-7-11-19(29-3)22(16)30-20/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyPZRKUSQMSNMCMV-UHFFFAOYSA-N
XLogP3.85
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24609224
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26238936
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 55713351
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 43035296
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031392
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134056639
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 33001757
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115505
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[3-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55588391

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide (CID 55588775) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide is CCn1c(=O)n(CCC(=O)NC(C)c2cc3cccc(OC)c3o2)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
The InChIKey is PZRKUSQMSNMCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-25-17-9-5-6-10-18(17)26(23(25)28)13-12-21(27)24-15(2)20-14-16-8-7-11-19(29-3)22(16)30-20/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,27).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide has a molecular weight of 407.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 55588775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).