[1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone

C26H28ClN3O2 — CID 26341021

IUPAC[1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(n2c([C@@H]3CCCO3)nc3ccccc32)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-19-9-7-18(8-10-19)26(13-14-26)25(31)29-15-11-20(12-16-29)30-22-5-2-1-4-21(22)28-24(30)23-6-3-17-32-23/h1-2,4-5,7-10,20,23H,3,6,11-17H2/t23-/m0/s1
InChIKeyBKFYGDBGLKRVIK-QHCPKHFHSA-N
MW449.98 g/mol
LogP5.44
Rot. Bonds4

About [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone

[1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 26341021) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID26341021
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(n2c([C@@H]3CCCO3)nc3ccccc32)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-19-9-7-18(8-10-19)26(13-14-26)25(31)29-15-11-20(12-16-29)30-22-5-2-1-4-21(22)28-24(30)23-6-3-17-32-23/h1-2,4-5,7-10,20,23H,3,6,11-17H2/t23-/m0/s1
InChIKeyBKFYGDBGLKRVIK-QHCPKHFHSA-N
XLogP5.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 3685428
3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 23612567
2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
CID 39730241
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone
CID 16674629
(E)-3-(2-chlorophenyl)-1-[4-[2-[(2R)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 42471194
2-(4-chloro-2-methylphenoxy)-1-[4-[2-[(2R)-oxolan-2-yl]-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 42170395
2-(4-chloro-2-methylphenoxy)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 45181810
1,5-dimethyl-4-[[4-[2-(oxolan-2-yl)benzimidazol-1-yl]piperidin-1-yl]methyl]-2-phenylpyrazol-3-one
CID 45173188
[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134567
[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 78778814
3-[1-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156930

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone (CID 26341021) is [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone is O=C(N1CCC(n2c([C@@H]3CCCO3)nc3ccccc32)CC1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is BKFYGDBGLKRVIK-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-19-9-7-18(8-10-19)26(13-14-26)25(31)29-15-11-20(12-16-29)30-22-5-2-1-4-21(22)28-24(30)23-6-3-17-32-23/h1-2,4-5,7-10,20,23H,3,6,11-17H2/t23-/m0/s1.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 449.98 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-[4-[2-[(2S)-oxolan-2-yl]benzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 26341021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).