1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one

C25H25N3O — CID 60523367

IUPAC1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
SMILESO=C(CCc1ccc2ccccc2c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H25N3O/c29-24(12-10-18-9-11-19-5-1-2-6-21(19)17-18)28-15-13-20(14-16-28)25-26-22-7-3-4-8-23(22)27-25/h1-9,11,17,20H,10,12-16H2,(H,26,27)
InChIKeyGEMHWDRPLOUQCX-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.05
Rot. Bonds4

About 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one (PubChem CID 60523367) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
PubChem CID60523367
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
SMILESO=C(CCc1ccc2ccccc2c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H25N3O/c29-24(12-10-18-9-11-19-5-1-2-6-21(19)17-18)28-15-13-20(14-16-28)25-26-22-7-3-4-8-23(22)27-25/h1-9,11,17,20H,10,12-16H2,(H,26,27)
InChIKeyGEMHWDRPLOUQCX-UHFFFAOYSA-N
XLogP5.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
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1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
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1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 33117135
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
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CID 29128735
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-ethylphenoxy)butan-1-one
CID 108762297
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
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1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
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3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 154860165
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 94093377
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
2-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one (CID 60523367) is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one is O=C(CCc1ccc2ccccc2c1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one?
The InChIKey is GEMHWDRPLOUQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c29-24(12-10-18-9-11-19-5-1-2-6-21(19)17-18)28-15-13-20(14-16-28)25-26-22-7-3-4-8-23(22)27-25/h1-9,11,17,20H,10,12-16H2,(H,26,27).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one?
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one has a molecular weight of 383.50 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 60523367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).