1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone

C22H25N3O2 — CID 108733624

IUPAC1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-15-4-3-5-18(12-15)27-14-21(26)25-10-8-17(9-11-25)22-23-19-7-6-16(2)13-20(19)24-22/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,24)
InChIKeyUXVAZWDSTHJCCR-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone

1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone (PubChem CID 108733624) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
PubChem CID108733624
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-15-4-3-5-18(12-15)27-14-21(26)25-10-8-17(9-11-25)22-23-19-7-6-16(2)13-20(19)24-22/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,24)
InChIKeyUXVAZWDSTHJCCR-UHFFFAOYSA-N
XLogP3.96
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone 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

2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 108756963
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 25389944
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 51327383
(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 1430066
1-(3,4-dimethylphenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butane-1,4-dione
CID 108733616
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 56753993

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone (CID 108733624) is 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1.
What is the InChIKey of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone?
The InChIKey is UXVAZWDSTHJCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-4-3-5-18(12-15)27-14-21(26)25-10-8-17(9-11-25)22-23-19-7-6-16(2)13-20(19)24-22/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,24).
What are the key properties of 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone?
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone has a molecular weight of 363.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 108733624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).