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

C28H28N4O3 — CID 16976328

IUPACN-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C28H28N4O3/c1-35-25-15-7-3-11-21(25)28(34)29-17-16-26-30-22-12-4-6-14-24(22)32(26)19-27(33)31-18-8-10-20-9-2-5-13-23(20)31/h2-7,9,11-15H,8,10,16-19H2,1H3,(H,29,34)
InChIKeyUWJBRCWIRXEAPE-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.00
Rot. Bonds7

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

N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide (PubChem CID 16976328) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
PubChem CID16976328
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C28H28N4O3/c1-35-25-15-7-3-11-21(25)28(34)29-17-16-26-30-22-12-4-6-14-24(22)32(26)19-27(33)31-18-8-10-20-9-2-5-13-23(20)31/h2-7,9,11-15H,8,10,16-19H2,1H3,(H,29,34)
InChIKeyUWJBRCWIRXEAPE-UHFFFAOYSA-N
XLogP4.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16980024
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]ethanone
CID 16995549
4-bromo-N-[5-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991684
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969600
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-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone
CID 51250220
3-bromo-N-[5-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990712
N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976311
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990124
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide (CID 16976328) is N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The InChIKey is UWJBRCWIRXEAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-35-25-15-7-3-11-21(25)28(34)29-17-16-26-30-22-12-4-6-14-24(22)32(26)19-27(33)31-18-8-10-20-9-2-5-13-23(20)31/h2-7,9,11-15H,8,10,16-19H2,1H3,(H,29,34).
What are the key properties of N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide has a molecular weight of 468.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 16976328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).