2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone

C22H25N3O3 — CID 175654949

IUPAC2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(OCC2CCCN(C(=O)Cc3ccc4nc[nH]c4c3)C2)cc1
InChIInChI=1S/C22H25N3O3/c1-27-18-5-7-19(8-6-18)28-14-17-3-2-10-25(13-17)22(26)12-16-4-9-20-21(11-16)24-15-23-20/h4-9,11,15,17H,2-3,10,12-14H2,1H3,(H,23,24)
InChIKeyMIEYWGZORXDMCC-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.43
Rot. Bonds6

About 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone

2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone (PubChem CID 175654949) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
PubChem CID175654949
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(OCC2CCCN(C(=O)Cc3ccc4nc[nH]c4c3)C2)cc1
InChIInChI=1S/C22H25N3O3/c1-27-18-5-7-19(8-6-18)28-14-17-3-2-10-25(13-17)22(26)12-16-4-9-20-21(11-16)24-15-23-20/h4-9,11,15,17H,2-3,10,12-14H2,1H3,(H,23,24)
InChIKeyMIEYWGZORXDMCC-UHFFFAOYSA-N
XLogP3.43
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
2-(3-methoxyphenyl)-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150064
2-(3H-benzimidazol-5-yl)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92612204
2-(4-ethoxyphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 110638412
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803
3-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124686051
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
2-(3-hydroxyphenyl)-1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 95894928
methyl 4-[4-[2-(3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801390
ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate
CID 110772416
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone (CID 175654949) is 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone is COc1ccc(OCC2CCCN(C(=O)Cc3ccc4nc[nH]c4c3)C2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone?
The InChIKey is MIEYWGZORXDMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-18-5-7-19(8-6-18)28-14-17-3-2-10-25(13-17)22(26)12-16-4-9-20-21(11-16)24-15-23-20/h4-9,11,15,17H,2-3,10,12-14H2,1H3,(H,23,24).
What are the key properties of 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone?
2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone has a molecular weight of 379.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 175654949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).