6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole

C21H25N3O — CID 71769386

IUPAC6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C21H25N3O/c1-16-5-10-19-20(15-16)23-21(22-19)17-6-8-18(9-7-17)25-14-13-24-11-3-2-4-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,22,23)
InChIKeyXVWGGOXBAAKLJP-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.40
Rot. Bonds5

About 6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole

6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole (PubChem CID 71769386) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
PubChem CID71769386
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C21H25N3O/c1-16-5-10-19-20(15-16)23-21(22-19)17-6-8-18(9-7-17)25-14-13-24-11-3-2-4-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,22,23)
InChIKeyXVWGGOXBAAKLJP-UHFFFAOYSA-N
XLogP4.40
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole (CID 71769386) is 6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole is Cc1ccc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole?
The InChIKey is XVWGGOXBAAKLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16-5-10-19-20(15-16)23-21(22-19)17-6-8-18(9-7-17)25-14-13-24-11-3-2-4-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,22,23).
What are the key properties of 6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole?
6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole has a molecular weight of 335.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 71769386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).