[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol

C21H25N3O — CID 71649897

IUPAC[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c25-16-21-22-19-8-4-5-9-20(19)24(21)15-18-10-12-23(13-11-18)14-17-6-2-1-3-7-17/h1-9,18,25H,10-16H2
InChIKeyDTDABXKZWXOOJZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.44
Rot. Bonds5

About [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol

[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol (PubChem CID 71649897) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
PubChem CID71649897
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c25-16-21-22-19-8-4-5-9-20(19)24(21)15-18-10-12-23(13-11-18)14-17-6-2-1-3-7-17/h1-9,18,25H,10-16H2
InChIKeyDTDABXKZWXOOJZ-UHFFFAOYSA-N
XLogP3.44
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxalic acid;2-(phenoxymethyl)-1-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]benzimidazole
CID 121079280
benzyl 3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 71649890
benzyl (3R)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 97169469
[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol
CID 962459
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084341
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
tert-butyl (3S)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97171142
[7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
CID 46966008
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024
1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole
CID 18324773
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036

Frequently Asked Questions

What is the IUPAC name of [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol (CID 71649897) is [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol?
The InChIKey is DTDABXKZWXOOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-16-21-22-19-8-4-5-9-20(19)24(21)15-18-10-12-23(13-11-18)14-17-6-2-1-3-7-17/h1-9,18,25H,10-16H2.
What are the key properties of [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol?
[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol has a molecular weight of 335.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 71649897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).