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

C21H23N3O — CID 35348246

IUPAC1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H23N3O/c25-20(11-10-16-6-2-1-3-7-16)24-14-12-17(13-15-24)21-22-18-8-4-5-9-19(18)23-21/h1-9,17H,10-15H2,(H,22,23)
InChIKeyCSJIBMADZQUWCB-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.90
Rot. Bonds4

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

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 35348246) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID35348246
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H23N3O/c25-20(11-10-16-6-2-1-3-7-16)24-14-12-17(13-15-24)21-22-18-8-4-5-9-19(18)23-21/h1-9,17H,10-15H2,(H,22,23)
InChIKeyCSJIBMADZQUWCB-UHFFFAOYSA-N
XLogP3.90
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60523367
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 33121432
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
CID 108739547
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 35348941
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735
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
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
2-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 35348582
3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 33114517

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (CID 35348246) is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is CSJIBMADZQUWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-20(11-10-16-6-2-1-3-7-16)24-14-12-17(13-15-24)21-22-18-8-4-5-9-19(18)23-21/h1-9,17H,10-15H2,(H,22,23).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 333.44 g/mol, XLogP of 3.90, 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-phenylpropan-1-one is sourced from PubChem (CID 35348246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).