N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide

C21H23F3N4O2 — CID 3219915

IUPACN-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H23F3N4O2/c1-14-26-18-11-15(21(22,23)24)4-5-19(18)28(14)16-6-8-27(9-7-16)13-20(29)25-12-17-3-2-10-30-17/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,25,29)
InChIKeyFDCUJVZKRZRDRC-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.91
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 3219915) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide
PubChem CID3219915
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC NameN-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H23F3N4O2/c1-14-26-18-11-15(21(22,23)24)4-5-19(18)28(14)16-6-8-27(9-7-16)13-20(29)25-12-17-3-2-10-30-17/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,25,29)
InChIKeyFDCUJVZKRZRDRC-UHFFFAOYSA-N
XLogP3.91
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 649306
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 3219917
cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
CID 1084752
(4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
CID 26362524
N-tert-butyl-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-ium-1-yl]acetamide
CID 6986415
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]acetamide
CID 71793804
2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 60503609
2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 55430200

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide (CID 3219915) is N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide is Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is FDCUJVZKRZRDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-14-26-18-11-15(21(22,23)24)4-5-19(18)28(14)16-6-8-27(9-7-16)13-20(29)25-12-17-3-2-10-30-17/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,25,29).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 420.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 3219915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).