2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole

C18H25N3O — CID 56852354

IUPAC2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C3CCCN(CC4CCCCO4)C3)nc2c1
InChIInChI=1S/C18H25N3O/c1-2-9-17-16(8-1)19-18(20-17)14-6-5-10-21(12-14)13-15-7-3-4-11-22-15/h1-2,8-9,14-15H,3-7,10-13H2,(H,19,20)
InChIKeyRXVGRERLHAGWCA-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.31
Rot. Bonds3

About 2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole

2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole (PubChem CID 56852354) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
PubChem CID56852354
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C3CCCN(CC4CCCCO4)C3)nc2c1
InChIInChI=1S/C18H25N3O/c1-2-9-17-16(8-1)19-18(20-17)14-6-5-10-21(12-14)13-15-7-3-4-11-22-15/h1-2,8-9,14-15H,3-7,10-13H2,(H,19,20)
InChIKeyRXVGRERLHAGWCA-UHFFFAOYSA-N
XLogP3.31
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 94585398
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70723239
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 94093377
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440
5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 70711680
2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802957
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one
CID 131900207
2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 43981509
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 43817655

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole (CID 56852354) is 2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole is c1ccc2[nH]c(C3CCCN(CC4CCCCO4)C3)nc2c1.
What is the InChIKey of 2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole?
The InChIKey is RXVGRERLHAGWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-9-17-16(8-1)19-18(20-17)14-6-5-10-21(12-14)13-15-7-3-4-11-22-15/h1-2,8-9,14-15H,3-7,10-13H2,(H,19,20).
What are the key properties of 2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole?
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole has a molecular weight of 299.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 56852354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).