1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one

C22H27N3O2 — CID 70096316

IUPAC1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(OCCN2CCC(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-23-20-9-5-6-10-21(20)25(22(23)26)27-16-15-24-13-11-19(12-14-24)17-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3
InChIKeyLHQWWVHHXSHIPR-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.72
Rot. Bonds6

About 1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one

1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one (PubChem CID 70096316) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one
PubChem CID70096316
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(OCCN2CCC(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-23-20-9-5-6-10-21(20)25(22(23)26)27-16-15-24-13-11-19(12-14-24)17-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3
InChIKeyLHQWWVHHXSHIPR-UHFFFAOYSA-N
XLogP2.72
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one (CID 70096316) is 1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one is Cn1c(=O)n(OCCN2CCC(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one?
The InChIKey is LHQWWVHHXSHIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23-20-9-5-6-10-21(20)25(22(23)26)27-16-15-24-13-11-19(12-14-24)17-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3.
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one?
1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)ethoxy]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 70096316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).