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

C29H30N4O2 — CID 16967925

IUPACN-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C29H30N4O2/c1-19-14-15-23(20(2)17-19)29(35)30-21(3)28-31-24-11-5-7-13-26(24)33(28)18-27(34)32-16-8-10-22-9-4-6-12-25(22)32/h4-7,9,11-15,17,21H,8,10,16,18H2,1-3H3,(H,30,35)
InChIKeyRYPRXNPXUJHHJT-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.12
Rot. Bonds5

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

N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide (PubChem CID 16967925) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
PubChem CID16967925
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC NameN-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C29H30N4O2/c1-19-14-15-23(20(2)17-19)29(35)30-21(3)28-31-24-11-5-7-13-26(24)33(28)18-27(34)32-16-8-10-22-9-4-6-12-25(22)32/h4-7,9,11-15,17,21H,8,10,16,18H2,1-3H3,(H,30,35)
InChIKeyRYPRXNPXUJHHJT-UHFFFAOYSA-N
XLogP5.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16966997
N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973566
N-[(1S)-1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41184002
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 95056727
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967909
2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 16967790
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethylsulfonylbenzimidazol-1-yl)ethanone
CID 18576773
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969600
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16987816
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide (CID 16967925) is N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)N2CCCc3ccccc32)c(C)c1.
What is the InChIKey of N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The InChIKey is RYPRXNPXUJHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-19-14-15-23(20(2)17-19)29(35)30-21(3)28-31-24-11-5-7-13-26(24)33(28)18-27(34)32-16-8-10-22-9-4-6-12-25(22)32/h4-7,9,11-15,17,21H,8,10,16,18H2,1-3H3,(H,30,35).
What are the key properties of N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide has a molecular weight of 466.59 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 16967925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).