N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide

C24H28N4O2 — CID 16969600

IUPACN-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C24H28N4O2/c1-24(2,3)23(30)25-15-21-26-18-11-5-7-13-20(18)28(21)16-22(29)27-14-8-10-17-9-4-6-12-19(17)27/h4-7,9,11-13H,8,10,14-16H2,1-3H3,(H,25,30)
InChIKeyLTGDEKRPMIIHDZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.68
Rot. Bonds4

About N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide

N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 16969600) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
PubChem CID16969600
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C24H28N4O2/c1-24(2,3)23(30)25-15-21-26-18-11-5-7-13-20(18)28(21)16-22(29)27-14-8-10-17-9-4-6-12-19(17)27/h4-7,9,11-13H,8,10,14-16H2,1-3H3,(H,25,30)
InChIKeyLTGDEKRPMIIHDZ-UHFFFAOYSA-N
XLogP3.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone
CID 51250220
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]ethanone
CID 16995549
N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976328
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethylsulfonylbenzimidazol-1-yl)ethanone
CID 18576773
N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16980024
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
4-bromo-N-[5-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991684
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone
CID 17002228
N-[[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969582
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
3-chloro-N-[5-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990550
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(furan-2-yl)benzimidazol-1-yl]ethanone
CID 1176479

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide (CID 16969600) is N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is LTGDEKRPMIIHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-24(2,3)23(30)25-15-21-26-18-11-5-7-13-20(18)28(21)16-22(29)27-14-8-10-17-9-4-6-12-19(17)27/h4-7,9,11-13H,8,10,14-16H2,1-3H3,(H,25,30).
What are the key properties of N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 404.51 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16969600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).