4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one

C25H29N3O2 — CID 46410513

IUPAC4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)c(C)c1
InChIInChI=1S/C25H29N3O2/c1-17-10-11-20(18(2)16-17)25(30)19-12-14-28(15-13-19)24(29)9-5-8-23-26-21-6-3-4-7-22(21)27-23/h3-4,6-7,10-11,16,19H,5,8-9,12-15H2,1-2H3,(H,26,27)
InChIKeySJVLKRJTFTZPPE-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.62
Rot. Bonds6

About 4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one

4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one (PubChem CID 46410513) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one
PubChem CID46410513
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one
SMILESCc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)c(C)c1
InChIInChI=1S/C25H29N3O2/c1-17-10-11-20(18(2)16-17)25(30)19-12-14-28(15-13-19)24(29)9-5-8-23-26-21-6-3-4-7-22(21)27-23/h3-4,6-7,10-11,16,19H,5,8-9,12-15H2,1-2H3,(H,26,27)
InChIKeySJVLKRJTFTZPPE-UHFFFAOYSA-N
XLogP4.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 46435051
3-(1H-benzimidazol-2-yl)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propan-1-one
CID 17493370
1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
2-[4-[4-(4-hydroxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 135949295
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
CID 46411383
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 31828706
1-(azepan-1-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 6501370
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 46401834
3-(1,3-benzodioxol-5-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propan-1-one
CID 31829860

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one (CID 46410513) is 4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one is Cc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)c(C)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one?
The InChIKey is SJVLKRJTFTZPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-10-11-20(18(2)16-17)25(30)19-12-14-28(15-13-19)24(29)9-5-8-23-26-21-6-3-4-7-22(21)27-23/h3-4,6-7,10-11,16,19H,5,8-9,12-15H2,1-2H3,(H,26,27).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one?
4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one has a molecular weight of 403.53 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 46410513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).