2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole

C20H23N3O2 — CID 11198512

IUPAC2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole
SMILESc1ccc2[nH]c(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C20H23N3O2/c1-4-12-23(13-5-1)14-15-24-16-8-10-17(11-9-16)25-20-21-18-6-2-3-7-19(18)22-20/h2-3,6-11H,1,4-5,12-15H2,(H,21,22)
InChIKeyCISXJTCZYBKDPY-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.22
Rot. Bonds6

About 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole

2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole (PubChem CID 11198512) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole
PubChem CID11198512
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole
SMILESc1ccc2[nH]c(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C20H23N3O2/c1-4-12-23(13-5-1)14-15-24-16-8-10-17(11-9-16)25-20-21-18-6-2-3-7-19(18)22-20/h2-3,6-11H,1,4-5,12-15H2,(H,21,22)
InChIKeyCISXJTCZYBKDPY-UHFFFAOYSA-N
XLogP4.22
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole 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 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole?
The IUPAC name of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole (CID 11198512) is 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole?
The canonical SMILES for 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole is c1ccc2[nH]c(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole?
The InChIKey is CISXJTCZYBKDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-12-23(13-5-1)14-15-24-16-8-10-17(11-9-16)25-20-21-18-6-2-3-7-19(18)22-20/h2-3,6-11H,1,4-5,12-15H2,(H,21,22).
What are the key properties of 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole?
2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole has a molecular weight of 337.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1H-benzimidazole is sourced from PubChem (CID 11198512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).