(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol

C20H22ClN3O — CID 95378823

IUPAC(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1
InChIInChI=1S/C20H22ClN3O/c21-16-8-9-19-18(11-16)22-20(14-23-10-4-7-17(25)13-23)24(19)12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17,25H,4,7,10,12-14H2/t17-/m1/s1
InChIKeyLVSORXTTZGOBNZ-QGZVFWFLSA-N
MW355.87 g/mol
LogP3.69
Rot. Bonds4

About (3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol

(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol (PubChem CID 95378823) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is (3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol
PubChem CID95378823
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1
InChIInChI=1S/C20H22ClN3O/c21-16-8-9-19-18(11-16)22-20(14-23-10-4-7-17(25)13-23)24(19)12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17,25H,4,7,10,12-14H2/t17-/m1/s1
InChIKeyLVSORXTTZGOBNZ-QGZVFWFLSA-N
XLogP3.69
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]phenol
CID 30238912
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
(3R)-1-benzylazepan-3-ol
CID 124585423
[(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2,5-dichlorophenyl)piperazin-1-yl]methanone
CID 124793127
(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97169373
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
[1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773364
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311826
(3S)-1-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]piperidin-3-ol
CID 94033633
1-[4-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 134084276
1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 38846521

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol (CID 95378823) is (3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol is O[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol?
The InChIKey is LVSORXTTZGOBNZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-16-8-9-19-18(11-16)22-20(14-23-10-4-7-17(25)13-23)24(19)12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17,25H,4,7,10,12-14H2/t17-/m1/s1.
What are the key properties of (3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol?
(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol has a molecular weight of 355.87 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 95378823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).