2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide

C21H25N3O3 — CID 18121482

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1c(=O)n(CC)c2ccccc21)c1ccc(OC)cc1
InChIInChI=1S/C21H25N3O3/c1-4-17(15-10-12-16(27-3)13-11-15)22-20(25)14-24-19-9-7-6-8-18(19)23(5-2)21(24)26/h6-13,17H,4-5,14H2,1-3H3,(H,22,25)
InChIKeyMRAZCFNPDKPRPS-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.10
Rot. Bonds7

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 18121482) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
PubChem CID18121482
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1c(=O)n(CC)c2ccccc21)c1ccc(OC)cc1
InChIInChI=1S/C21H25N3O3/c1-4-17(15-10-12-16(27-3)13-11-15)22-20(25)14-24-19-9-7-6-8-18(19)23(5-2)21(24)26/h6-13,17H,4-5,14H2,1-3H3,(H,22,25)
InChIKeyMRAZCFNPDKPRPS-UHFFFAOYSA-N
XLogP3.10
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115505
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18277506
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503
3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 24547729
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
N-[(2S)-butan-2-yl]-2-[3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetamide
CID 7296813
(2S)-2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 119360644
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide (CID 18121482) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide is CCC(NC(=O)Cn1c(=O)n(CC)c2ccccc21)c1ccc(OC)cc1.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is MRAZCFNPDKPRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-17(15-10-12-16(27-3)13-11-15)22-20(25)14-24-19-9-7-6-8-18(19)23(5-2)21(24)26/h6-13,17H,4-5,14H2,1-3H3,(H,22,25).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 18121482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).