cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone

C24H27N3O2 — CID 164619982

IUPACcyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1cccc(Cn2c(OC3CCN(C(=O)C4CC4)CC3)nc3ccccc32)c1
InChIInChI=1S/C24H27N3O2/c1-17-5-4-6-18(15-17)16-27-22-8-3-2-7-21(22)25-24(27)29-20-11-13-26(14-12-20)23(28)19-9-10-19/h2-8,15,19-20H,9-14,16H2,1H3
InChIKeyVQMUILGSIVESKF-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.17
Rot. Bonds5

About cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone

cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 164619982) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone
PubChem CID164619982
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Namecyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone
SMILESCc1cccc(Cn2c(OC3CCN(C(=O)C4CC4)CC3)nc3ccccc32)c1
InChIInChI=1S/C24H27N3O2/c1-17-5-4-6-18(15-17)16-27-22-8-3-2-7-21(22)25-24(27)29-20-11-13-26(14-12-20)23(28)19-9-10-19/h2-8,15,19-20H,9-14,16H2,1H3
InChIKeyVQMUILGSIVESKF-UHFFFAOYSA-N
XLogP4.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-[1-(3-methylbutyl)benzimidazol-2-yl]oxypiperidin-1-yl]methanone
CID 164611070
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975159
tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
CID 158869654
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523
1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 20886884
[(2S,4S)-2-benzyl-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 86755702
1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 164619930
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 46375652
1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
CID 158694216
3-methyl-1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 164623198
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone (CID 164619982) is cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone is Cc1cccc(Cn2c(OC3CCN(C(=O)C4CC4)CC3)nc3ccccc32)c1.
What is the InChIKey of cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is VQMUILGSIVESKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-5-4-6-18(15-17)16-27-22-8-3-2-7-21(22)25-24(27)29-20-11-13-26(14-12-20)23(28)19-9-10-19/h2-8,15,19-20H,9-14,16H2,1H3.
What are the key properties of cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone?
cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 164619982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).