3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide

C22H26N4O3 — CID 55705815

IUPAC3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)c1
InChIInChI=1S/C22H26N4O3/c1-3-13-23-21(28)16-8-7-9-17(15-16)24-20(27)12-14-26-19-11-6-5-10-18(19)25(4-2)22(26)29/h5-11,15H,3-4,12-14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyDUASLWQOSXHTOH-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.99
Rot. Bonds8

About 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide

3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide (PubChem CID 55705815) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide
PubChem CID55705815
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)c1
InChIInChI=1S/C22H26N4O3/c1-3-13-23-21(28)16-8-7-9-17(15-16)24-20(27)12-14-26-19-11-6-5-10-18(19)25(4-2)22(26)29/h5-11,15H,3-4,12-14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyDUASLWQOSXHTOH-UHFFFAOYSA-N
XLogP2.99
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609703
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide
CID 30285225
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-nitrophenyl)propanamide
CID 25299229
3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
CID 55705897
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 55719879
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
CID 60867621
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
N-butyl-3-(heptanoylamino)benzamide
CID 54789148

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide?
The IUPAC name of 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide (CID 55705815) is 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide?
The canonical SMILES for 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)c1.
What is the InChIKey of 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide?
The InChIKey is DUASLWQOSXHTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-13-23-21(28)16-8-7-9-17(15-16)24-20(27)12-14-26-19-11-6-5-10-18(19)25(4-2)22(26)29/h5-11,15H,3-4,12-14H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide?
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide has a molecular weight of 394.48 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 55705815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).