(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C21H23N3O2 — CID 1430066

IUPAC(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1
InChIInChI=1S/C21H23N3O2/c1-14-7-8-17-18(13-14)23-20(22-17)15-9-11-24(12-10-15)21(25)16-5-3-4-6-19(16)26-2/h3-8,13,15H,9-12H2,1-2H3,(H,22,23)
InChIKeyAMPKNKPDMMDOMI-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.90
Rot. Bonds3

About (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 1430066) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID1430066
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1
InChIInChI=1S/C21H23N3O2/c1-14-7-8-17-18(13-14)23-20(22-17)15-9-11-24(12-10-15)21(25)16-5-3-4-6-19(16)26-2/h3-8,13,15H,9-12H2,1-2H3,(H,22,23)
InChIKeyAMPKNKPDMMDOMI-UHFFFAOYSA-N
XLogP3.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]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

(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756879
5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 108809323
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 647639
N-(2-methoxyphenyl)-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
CID 1453158
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methoxy-5-nitrophenyl)methanone
CID 46541329
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
(E)-3-(3-bromo-4,5-dimethoxyphenyl)-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 108756945

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 1430066) is (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is AMPKNKPDMMDOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-7-8-17-18(13-14)23-20(22-17)15-9-11-24(12-10-15)21(25)16-5-3-4-6-19(16)26-2/h3-8,13,15H,9-12H2,1-2H3,(H,22,23).
What are the key properties of (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 1430066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).