2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide

C25H32N4O3 — CID 16978567

IUPAC2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1c(CCNC(=O)COc2ccccc2)nc2ccccc21)C(C)C
InChIInChI=1S/C25H32N4O3/c1-18(2)29(19(3)4)25(31)16-28-22-13-9-8-12-21(22)27-23(28)14-15-26-24(30)17-32-20-10-6-5-7-11-20/h5-13,18-19H,14-17H2,1-4H3,(H,26,30)
InChIKeyCQHSKTSLJVABJC-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.42
Rot. Bonds10

About 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide

2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 16978567) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID16978567
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1c(CCNC(=O)COc2ccccc2)nc2ccccc21)C(C)C
InChIInChI=1S/C25H32N4O3/c1-18(2)29(19(3)4)25(31)16-28-22-13-9-8-12-21(22)27-23(28)14-15-26-24(30)17-32-20-10-6-5-7-11-20/h5-13,18-19H,14-17H2,1-4H3,(H,26,30)
InChIKeyCQHSKTSLJVABJC-UHFFFAOYSA-N
XLogP3.42
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16978586
2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16986343
N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976311
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 16986352
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide
CID 16992973
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978475
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038
2-(2-ethylbenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 16996472
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981079
2-[2-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16978893

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide (CID 16978567) is 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1c(CCNC(=O)COc2ccccc2)nc2ccccc21)C(C)C.
What is the InChIKey of 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is CQHSKTSLJVABJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18(2)29(19(3)4)25(31)16-28-22-13-9-8-12-21(22)27-23(28)14-15-26-24(30)17-32-20-10-6-5-7-11-20/h5-13,18-19H,14-17H2,1-4H3,(H,26,30).
What are the key properties of 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 16978567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).