N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide

C25H30N4O2 — CID 16979051

IUPACN-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESCC1CCN(C(=O)Cn2c(CCNC(=O)Cc3ccccc3)nc3ccccc32)CC1
InChIInChI=1S/C25H30N4O2/c1-19-12-15-28(16-13-19)25(31)18-29-22-10-6-5-9-21(22)27-23(29)11-14-26-24(30)17-20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3,(H,26,30)
InChIKeyIKCFQIORUCIHNY-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.20
Rot. Bonds7

About N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide

N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (PubChem CID 16979051) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
PubChem CID16979051
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESCC1CCN(C(=O)Cn2c(CCNC(=O)Cc3ccccc3)nc3ccccc32)CC1
InChIInChI=1S/C25H30N4O2/c1-19-12-15-28(16-13-19)25(31)18-29-22-10-6-5-9-21(22)27-23(29)11-14-26-24(30)17-20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3,(H,26,30)
InChIKeyIKCFQIORUCIHNY-UHFFFAOYSA-N
XLogP3.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979049
(E)-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980185
4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976813
N-[5-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989415
2-fluoro-N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983128
N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966158
2-(2-chlorophenyl)-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16979371
N-[3-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964538
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979045
2-(4-methoxyphenyl)-N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16985650
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986136

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (CID 16979051) is N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is CC1CCN(C(=O)Cn2c(CCNC(=O)Cc3ccccc3)nc3ccccc32)CC1.
What is the InChIKey of N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The InChIKey is IKCFQIORUCIHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-12-15-28(16-13-19)25(31)18-29-22-10-6-5-9-21(22)27-23(29)11-14-26-24(30)17-20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3,(H,26,30).
What are the key properties of N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 418.54 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 16979051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).