1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone

C20H22N4O2 — CID 56753993

IUPAC1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCc1cccc2[nH]c(C3CCN(C(=O)COc4cccnc4)CC3)nc12
InChIInChI=1S/C20H22N4O2/c1-14-4-2-6-17-19(14)23-20(22-17)15-7-10-24(11-8-15)18(25)13-26-16-5-3-9-21-12-16/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,22,23)
InChIKeyRZIXHQZLFOVLJH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone

1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 56753993) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID56753993
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCc1cccc2[nH]c(C3CCN(C(=O)COc4cccnc4)CC3)nc12
InChIInChI=1S/C20H22N4O2/c1-14-4-2-6-17-19(14)23-20(22-17)15-7-10-24(11-8-15)18(25)13-26-16-5-3-9-21-12-16/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,22,23)
InChIKeyRZIXHQZLFOVLJH-UHFFFAOYSA-N
XLogP3.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70746403
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70768059
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70711639
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624
2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 72907509
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72907250
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70734781
2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136881384
2-hydroxy-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 72931914
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 154817199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone (CID 56753993) is 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone is Cc1cccc2[nH]c(C3CCN(C(=O)COc4cccnc4)CC3)nc12.
What is the InChIKey of 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is RZIXHQZLFOVLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-4-2-6-17-19(14)23-20(22-17)15-7-10-24(11-8-15)18(25)13-26-16-5-3-9-21-12-16/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,22,23).
What are the key properties of 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone?
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 350.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 56753993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).