[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone

C23H27N3O2 — CID 46692363

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone
SMILESCCCCOc1ccc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C23H27N3O2/c1-2-3-15-28-19-12-10-17(11-13-19)23(27)26-14-6-7-18(16-26)22-24-20-8-4-5-9-21(20)25-22/h4-5,8-13,18H,2-3,6-7,14-16H2,1H3,(H,24,25)
InChIKeySOJBTINHUFTZEG-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.76
Rot. Bonds6

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone (PubChem CID 46692363) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone
PubChem CID46692363
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone
SMILESCCCCOc1ccc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C23H27N3O2/c1-2-3-15-28-19-12-10-17(11-13-19)23(27)26-14-6-7-18(16-26)22-24-20-8-4-5-9-21(20)25-22/h4-5,8-13,18H,2-3,6-7,14-16H2,1H3,(H,24,25)
InChIKeySOJBTINHUFTZEG-UHFFFAOYSA-N
XLogP4.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 42932459
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione
CID 55497086
3-(1H-benzimidazol-2-yl)-N-(4-butoxyphenyl)azetidine-1-carboxamide
CID 90505848
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 47993008
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
4-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 25352191
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone (CID 46692363) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone is CCCCOc1ccc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone?
The InChIKey is SOJBTINHUFTZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-3-15-28-19-12-10-17(11-13-19)23(27)26-14-6-7-18(16-26)22-24-20-8-4-5-9-21(20)25-22/h4-5,8-13,18H,2-3,6-7,14-16H2,1H3,(H,24,25).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone has a molecular weight of 377.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone is sourced from PubChem (CID 46692363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).