[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol

C20H21Cl2N3O — CID 71649983

IUPAC[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C20H21Cl2N3O/c21-16-6-3-7-17(22)15(16)12-25-19-9-2-1-8-18(19)23-20(25)24-10-4-5-14(11-24)13-26/h1-3,6-9,14,26H,4-5,10-13H2
InChIKeySTZOSMSFRSWNHY-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.60
Rot. Bonds4

About [1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol

[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol (PubChem CID 71649983) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is [1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol
PubChem CID71649983
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C20H21Cl2N3O/c21-16-6-3-7-17(22)15(16)12-25-19-9-2-1-8-18(19)23-20(25)24-10-4-5-14(11-24)13-26/h1-3,6-9,14,26H,4-5,10-13H2
InChIKeySTZOSMSFRSWNHY-UHFFFAOYSA-N
XLogP4.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol (CID 71649983) is [1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol is OCC1CCCN(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of [1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol?
The InChIKey is STZOSMSFRSWNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c21-16-6-3-7-17(22)15(16)12-25-19-9-2-1-8-18(19)23-20(25)24-10-4-5-14(11-24)13-26/h1-3,6-9,14,26H,4-5,10-13H2.
What are the key properties of [1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol?
[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol has a molecular weight of 390.31 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 71649983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).