2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide

C23H29N3O3 — CID 46470808

IUPAC2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCCCn1c(=O)n(CC(=O)NC(C)c2cccc(OC(C)C)c2)c2ccccc21
InChIInChI=1S/C23H29N3O3/c1-5-13-25-20-11-6-7-12-21(20)26(23(25)28)15-22(27)24-17(4)18-9-8-10-19(14-18)29-16(2)3/h6-12,14,16-17H,5,13,15H2,1-4H3,(H,24,27)
InChIKeyWPCFTODQENYVAU-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.88
Rot. Bonds8

About 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide

2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 46470808) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID46470808
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCCCn1c(=O)n(CC(=O)NC(C)c2cccc(OC(C)C)c2)c2ccccc21
InChIInChI=1S/C23H29N3O3/c1-5-13-25-20-11-6-7-12-21(20)26(23(25)28)15-22(27)24-17(4)18-9-8-10-19(14-18)29-16(2)3/h6-12,14,16-17H,5,13,15H2,1-4H3,(H,24,27)
InChIKeyWPCFTODQENYVAU-UHFFFAOYSA-N
XLogP3.88
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 55713351
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478901
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55710560
N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031322
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
N-[1-(3-acetamidophenyl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55585412
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134056639
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46479053
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 55717688
N-[1-(furan-2-yl)propan-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 47026554
4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 63307817

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide (CID 46470808) is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide is CCCn1c(=O)n(CC(=O)NC(C)c2cccc(OC(C)C)c2)c2ccccc21.
What is the InChIKey of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is WPCFTODQENYVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-13-25-20-11-6-7-12-21(20)26(23(25)28)15-22(27)24-17(4)18-9-8-10-19(14-18)29-16(2)3/h6-12,14,16-17H,5,13,15H2,1-4H3,(H,24,27).
What are the key properties of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46470808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).