1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one

C23H27N3O — CID 18928760

IUPAC1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(CCn2cnc3ccccc32)CC1
InChIInChI=1S/C23H27N3O/c27-23(11-10-19-6-2-1-3-7-19)25-15-12-20(13-16-25)14-17-26-18-24-21-8-4-5-9-22(21)26/h1-9,18,20H,10-17H2
InChIKeyRVISXXDWTDIBOT-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.30
Rot. Bonds6

About 1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one

1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 18928760) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID18928760
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(CCn2cnc3ccccc32)CC1
InChIInChI=1S/C23H27N3O/c27-23(11-10-19-6-2-1-3-7-19)25-15-12-20(13-16-25)14-17-26-18-24-21-8-4-5-9-22(21)26/h1-9,18,20H,10-17H2
InChIKeyRVISXXDWTDIBOT-UHFFFAOYSA-N
XLogP4.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
CID 42291468
3-phenyl-1-[4-[2-(triazol-2-yl)ethyl]piperidin-1-yl]propan-1-one
CID 67619627
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
3-(benzimidazol-1-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622650
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 18928699
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 118682929
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2422296
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
1-(benzimidazol-1-yl)-3-phenylpropan-1-one
CID 4630006

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 18928760) is 1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC(CCn2cnc3ccccc32)CC1.
What is the InChIKey of 1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is RVISXXDWTDIBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(11-10-19-6-2-1-3-7-19)25-15-12-20(13-16-25)14-17-26-18-24-21-8-4-5-9-22(21)26/h1-9,18,20H,10-17H2.
What are the key properties of 1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 361.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 18928760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).