1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol

C19H20ClN3O — CID 71649830

IUPAC1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN3O/c20-15-5-3-4-14(12-15)13-23-18-7-2-1-6-17(18)21-19(23)22-10-8-16(24)9-11-22/h1-7,12,16,24H,8-11,13H2
InChIKeyRCUYIRQGXGOFNB-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.70
Rot. Bonds3

About 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol

1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol (PubChem CID 71649830) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol
PubChem CID71649830
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN3O/c20-15-5-3-4-14(12-15)13-23-18-7-2-1-6-17(18)21-19(23)22-10-8-16(24)9-11-22/h1-7,12,16,24H,8-11,13H2
InChIKeyRCUYIRQGXGOFNB-UHFFFAOYSA-N
XLogP3.70
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97169373
1-[(3-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 71646483
6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole
CID 10714425
1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649801
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
tert-butyl N-[[(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methyl]carbamate
CID 97174396
1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649802
tert-butyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]-N-methylcarbamate
CID 71647025
(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97114323
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71634624
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol (CID 71649830) is 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol is OC1CCN(c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol?
The InChIKey is RCUYIRQGXGOFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-15-5-3-4-14(12-15)13-23-18-7-2-1-6-17(18)21-19(23)22-10-8-16(24)9-11-22/h1-7,12,16,24H,8-11,13H2.
What are the key properties of 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol?
1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol has a molecular weight of 341.84 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 71649830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).