N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide

C25H32N4O3 — CID 16976311

IUPACN-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCc1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C25H32N4O3/c1-17(2)29(18(3)4)24(30)16-28-21-12-8-7-11-20(21)27-23(28)14-15-26-25(31)19-10-6-9-13-22(19)32-5/h6-13,17-18H,14-16H2,1-5H3,(H,26,31)
InChIKeyZRRNWJQGBQYPDR-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.66
Rot. Bonds9

About N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide

N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide (PubChem CID 16976311) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
PubChem CID16976311
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCc1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C25H32N4O3/c1-17(2)29(18(3)4)24(30)16-28-21-12-8-7-11-20(21)27-23(28)14-15-26-25(31)19-10-6-9-13-22(19)32-5/h6-13,17-18H,14-16H2,1-5H3,(H,26,31)
InChIKeyZRRNWJQGBQYPDR-UHFFFAOYSA-N
XLogP3.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983903
N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
CID 16990047
N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982960
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007857
2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16978567
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16976021
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981079
2-methoxy-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976230

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide (CID 16976311) is N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCc1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The InChIKey is ZRRNWJQGBQYPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17(2)29(18(3)4)24(30)16-28-21-12-8-7-11-20(21)27-23(28)14-15-26-25(31)19-10-6-9-13-22(19)32-5/h6-13,17-18H,14-16H2,1-5H3,(H,26,31).
What are the key properties of N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide has a molecular weight of 436.56 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 16976311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).