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

C22H27N3O3 — CID 18115505

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCn1c(=O)n(CC)c2ccccc21)c1ccc(OC)cc1
InChIInChI=1S/C22H27N3O3/c1-4-18(16-10-12-17(28-3)13-11-16)23-21(26)14-15-25-20-9-7-6-8-19(20)24(5-2)22(25)27/h6-13,18H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyHXESABKGQGPUJA-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.49
Rot. Bonds8

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

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide (PubChem CID 18115505) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
PubChem CID18115505
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCn1c(=O)n(CC)c2ccccc21)c1ccc(OC)cc1
InChIInChI=1S/C22H27N3O3/c1-4-18(16-10-12-17(28-3)13-11-16)23-21(26)14-15-25-20-9-7-6-8-19(20)24(5-2)22(25)27/h6-13,18H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyHXESABKGQGPUJA-UHFFFAOYSA-N
XLogP3.49
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18121482
N-[1-(4-bromophenyl)propyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18277506
3-(2,4-dioxoquinazolin-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 24547729
3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 55713351
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18131666
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 24559430
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide (CID 18115505) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide is CCC(NC(=O)CCn1c(=O)n(CC)c2ccccc21)c1ccc(OC)cc1.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide?
The InChIKey is HXESABKGQGPUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-18(16-10-12-17(28-3)13-11-16)23-21(26)14-15-25-20-9-7-6-8-19(20)24(5-2)22(25)27/h6-13,18H,4-5,14-15H2,1-3H3,(H,23,26).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(4-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 18115505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).