(4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone

C22H25N3O2 — CID 17467831

IUPAC(4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(Cn3c(C)nc4ccccc43)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-23-20-5-3-4-6-21(20)25(16)15-24-13-11-18(12-14-24)22(26)17-7-9-19(27-2)10-8-17/h3-10,18H,11-15H2,1-2H3
InChIKeyLZAHHWCYXQFLHJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.91
Rot. Bonds5

About (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone (PubChem CID 17467831) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone
PubChem CID17467831
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(Cn3c(C)nc4ccccc43)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-23-20-5-3-4-6-21(20)25(16)15-24-13-11-18(12-14-24)22(26)17-7-9-19(27-2)10-8-17/h3-10,18H,11-15H2,1-2H3
InChIKeyLZAHHWCYXQFLHJ-UHFFFAOYSA-N
XLogP3.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone (CID 17467831) is (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(Cn3c(C)nc4ccccc43)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is LZAHHWCYXQFLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-23-20-5-3-4-6-21(20)25(16)15-24-13-11-18(12-14-24)22(26)17-7-9-19(27-2)10-8-17/h3-10,18H,11-15H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 17467831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).