[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol

C20H24N4O — CID 171913113

IUPAC[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
SMILESCc1ccc2nc(CN3CCC(C(O)c4cccnc4)CC3)[nH]c2c1
InChIInChI=1S/C20H24N4O/c1-14-4-5-17-18(11-14)23-19(22-17)13-24-9-6-15(7-10-24)20(25)16-3-2-8-21-12-16/h2-5,8,11-12,15,20,25H,6-7,9-10,13H2,1H3,(H,22,23)
InChIKeySOIWKCVISGJWFW-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.21
Rot. Bonds4

About [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol

[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol (PubChem CID 171913113) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
PubChem CID171913113
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
SMILESCc1ccc2nc(CN3CCC(C(O)c4cccnc4)CC3)[nH]c2c1
InChIInChI=1S/C20H24N4O/c1-14-4-5-17-18(11-14)23-19(22-17)13-24-9-6-15(7-10-24)20(25)16-3-2-8-21-12-16/h2-5,8,11-12,15,20,25H,6-7,9-10,13H2,1H3,(H,22,23)
InChIKeySOIWKCVISGJWFW-UHFFFAOYSA-N
XLogP3.21
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol 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

[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 171915677
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 30876748
(2S)-1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 97248115
4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide
CID 171910596
(R)-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 25274602
5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 171908399
pyridin-3-yl-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanol
CID 157013482
1-(1-benzylpiperidin-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-2-one
CID 67836750
N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 171909800
2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 45199332
(S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 124844163
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846

Frequently Asked Questions

What is the IUPAC name of [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol (CID 171913113) is [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol is Cc1ccc2nc(CN3CCC(C(O)c4cccnc4)CC3)[nH]c2c1.
What is the InChIKey of [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The InChIKey is SOIWKCVISGJWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-4-5-17-18(11-14)23-19(22-17)13-24-9-6-15(7-10-24)20(25)16-3-2-8-21-12-16/h2-5,8,11-12,15,20,25H,6-7,9-10,13H2,1H3,(H,22,23).
What are the key properties of [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol has a molecular weight of 336.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 171913113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).