3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

C21H26FN5 — CID 92626591

IUPAC3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1CN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C21H26FN5/c1-26(2)21-16(6-3-9-23-21)14-27-10-4-5-15(13-27)11-20-24-18-8-7-17(22)12-19(18)25-20/h3,6-9,12,15H,4-5,10-11,13-14H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyYODFCZRDNAFUKR-HNNXBMFYSA-N
MW367.47 g/mol
LogP3.62
Rot. Bonds5

About 3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 92626591) has the molecular formula C21H26FN5 and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID92626591
Molecular FormulaC21H26FN5
Molecular Weight367.47 g/mol
Exact Mass367.22
IUPAC Name3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1CN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C21H26FN5/c1-26(2)21-16(6-3-9-23-21)14-27-10-4-5-15(13-27)11-20-24-18-8-7-17(22)12-19(18)25-20/h3,6-9,12,15H,4-5,10-11,13-14H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyYODFCZRDNAFUKR-HNNXBMFYSA-N
XLogP3.62
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46976867
6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 142672434
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 30673499
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 95725288
2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56900334
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884
(3S,4S)-3-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-7-fluoro-4-propan-2-yl-2,4-dihydrochromen-3-ol
CID 142734484
N,N-dimethyl-3-[[4-(2-methyl-6-pyrrolidin-2-yl-4-pyridinyl)piperazin-1-yl]methyl]pyridin-2-amine
CID 110260485

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (CID 92626591) is 3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ncccc1CN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1.
What is the InChIKey of 3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is YODFCZRDNAFUKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26FN5/c1-26(2)21-16(6-3-9-23-21)14-27-10-4-5-15(13-27)11-20-24-18-8-7-17(22)12-19(18)25-20/h3,6-9,12,15H,4-5,10-11,13-14H2,1-2H3,(H,24,25)/t15-/m0/s1.
What are the key properties of 3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 367.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 92626591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).