6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole

C20H23N3O — CID 103597286

IUPAC6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc(C)c(N4CCCCC4)c3)[nH]c2c1
InChIInChI=1S/C20H23N3O/c1-14-6-7-15(12-19(14)23-10-4-3-5-11-23)20-21-17-9-8-16(24-2)13-18(17)22-20/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,22)
InChIKeyWFJCHVWDNWPKNI-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.54
Rot. Bonds3

About 6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole

6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole (PubChem CID 103597286) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole
PubChem CID103597286
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole
SMILESCOc1ccc2nc(-c3ccc(C)c(N4CCCCC4)c3)[nH]c2c1
InChIInChI=1S/C20H23N3O/c1-14-6-7-15(12-19(14)23-10-4-3-5-11-23)20-21-17-9-8-16(24-2)13-18(17)22-20/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,22)
InChIKeyWFJCHVWDNWPKNI-UHFFFAOYSA-N
XLogP4.54
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine
CID 70006976
N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine;dihydrochloride
CID 70006975
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
CID 114821621
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017648
3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001
6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
CID 64723120
6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole (CID 103597286) is 6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole is COc1ccc2nc(-c3ccc(C)c(N4CCCCC4)c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole?
The InChIKey is WFJCHVWDNWPKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-6-7-15(12-19(14)23-10-4-3-5-11-23)20-21-17-9-8-16(24-2)13-18(17)22-20/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,22).
What are the key properties of 6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole?
6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole has a molecular weight of 321.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole is sourced from PubChem (CID 103597286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).