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

C19H20ClN3O — CID 97169373

IUPAC(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2nc3ccccc3n2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H20ClN3O/c20-15-6-3-5-14(11-15)12-23-18-9-2-1-8-17(18)21-19(23)22-10-4-7-16(24)13-22/h1-3,5-6,8-9,11,16,24H,4,7,10,12-13H2/t16-/m1/s1
InChIKeyDATDHHPEBNQWLS-MRXNPFEDSA-N
MW341.84 g/mol
LogP3.70
Rot. Bonds3

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

(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol (PubChem CID 97169373) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is (3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
PubChem CID97169373
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2nc3ccccc3n2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H20ClN3O/c20-15-6-3-5-14(11-15)12-23-18-9-2-1-8-17(18)21-19(23)22-10-4-7-16(24)13-22/h1-3,5-6,8-9,11,16,24H,4,7,10,12-13H2/t16-/m1/s1
InChIKeyDATDHHPEBNQWLS-MRXNPFEDSA-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

1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol
CID 71649830
(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97114323
1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649801
1-[(3-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 71646483
tert-butyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]-N-methylcarbamate
CID 71647025
tert-butyl N-[[(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methyl]carbamate
CID 97174396
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649802
1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine
CID 155142908
6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole
CID 10714425
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71634624
[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methanol
CID 71649983

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol (CID 97169373) is (3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol is O[C@@H]1CCCN(c2nc3ccccc3n2Cc2cccc(Cl)c2)C1.
What is the InChIKey of (3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol?
The InChIKey is DATDHHPEBNQWLS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-15-6-3-5-14(11-15)12-23-18-9-2-1-8-17(18)21-19(23)22-10-4-7-16(24)13-22/h1-3,5-6,8-9,11,16,24H,4,7,10,12-13H2/t16-/m1/s1.
What are the key properties of (3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol?
(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-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 (3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol is sourced from PubChem (CID 97169373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).