(3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol

C14H18BrN3O — CID 99715280

IUPAC(3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol
SMILESC[C@@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)C[C@@H]1O
InChIInChI=1S/C14H18BrN3O/c1-9-4-5-18(7-13(9)19)8-14-16-11-3-2-10(15)6-12(11)17-14/h2-3,6,9,13,19H,4-5,7-8H2,1H3,(H,16,17)/t9-,13+/m1/s1
InChIKeyVFZHFIZACVLOAS-RNCFNFMXSA-N
MW324.22 g/mol
LogP2.53
Rot. Bonds2

About (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol

(3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol (PubChem CID 99715280) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol
PubChem CID99715280
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name(3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol
SMILESC[C@@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)C[C@@H]1O
InChIInChI=1S/C14H18BrN3O/c1-9-4-5-18(7-13(9)19)8-14-16-11-3-2-10(15)6-12(11)17-14/h2-3,6,9,13,19H,4-5,7-8H2,1H3,(H,16,17)/t9-,13+/m1/s1
InChIKeyVFZHFIZACVLOAS-RNCFNFMXSA-N
XLogP2.53
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981
6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 142672434
2-[[(3S,4R)-3-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 69365114
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
CID 64723934
2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-3H-benzimidazol-5-amine
CID 79165590
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole
CID 64723733
2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol
CID 81431285
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 43375659
2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 102956438

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol (CID 99715280) is (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol is C[C@@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)C[C@@H]1O.
What is the InChIKey of (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is VFZHFIZACVLOAS-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-9-4-5-18(7-13(9)19)8-14-16-11-3-2-10(15)6-12(11)17-14/h2-3,6,9,13,19H,4-5,7-8H2,1H3,(H,16,17)/t9-,13+/m1/s1.
What are the key properties of (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol?
(3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 324.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 99715280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).