[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

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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).