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

C22H24ClN3O — CID 55790773

IUPAC1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one
SMILESO=C(CCCc1ccc(Cl)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H24ClN3O/c23-18-12-10-16(11-13-18)5-3-9-21(27)26-14-4-6-17(15-26)22-24-19-7-1-2-8-20(19)25-22/h1-2,7-8,10-13,17H,3-6,9,14-15H2,(H,24,25)
InChIKeyJKVHQNVFSGBMNF-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.95
Rot. Bonds5

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

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one (PubChem CID 55790773) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one
PubChem CID55790773
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one
SMILESO=C(CCCc1ccc(Cl)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H24ClN3O/c23-18-12-10-16(11-13-18)5-3-9-21(27)26-14-4-6-17(15-26)22-24-19-7-1-2-8-20(19)25-22/h1-2,7-8,10-13,17H,3-6,9,14-15H2,(H,24,25)
InChIKeyJKVHQNVFSGBMNF-UHFFFAOYSA-N
XLogP4.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one (CID 55790773) is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one is O=C(CCCc1ccc(Cl)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one?
The InChIKey is JKVHQNVFSGBMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c23-18-12-10-16(11-13-18)5-3-9-21(27)26-14-4-6-17(15-26)22-24-19-7-1-2-8-20(19)25-22/h1-2,7-8,10-13,17H,3-6,9,14-15H2,(H,24,25).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one?
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one has a molecular weight of 381.91 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one is sourced from PubChem (CID 55790773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).