(S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

C21H26N4O — CID 124844163

IUPAC(S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1ccc2[nH]c(CN3CCC([C@H](O)c4ccccn4)CC3)nc2c1C
InChIInChI=1S/C21H26N4O/c1-14-6-7-17-20(15(14)2)24-19(23-17)13-25-11-8-16(9-12-25)21(26)18-5-3-4-10-22-18/h3-7,10,16,21,26H,8-9,11-13H2,1-2H3,(H,23,24)/t21-/m0/s1
InChIKeyFUGDEZGSVJPNER-NRFANRHFSA-N
MW350.47 g/mol
LogP3.52
Rot. Bonds4

About (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

(S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 124844163) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID124844163
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1ccc2[nH]c(CN3CCC([C@H](O)c4ccccn4)CC3)nc2c1C
InChIInChI=1S/C21H26N4O/c1-14-6-7-17-20(15(14)2)24-19(23-17)13-25-11-8-16(9-12-25)21(26)18-5-3-4-10-22-18/h3-7,10,16,21,26H,8-9,11-13H2,1-2H3,(H,23,24)/t21-/m0/s1
InChIKeyFUGDEZGSVJPNER-NRFANRHFSA-N
XLogP3.52
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol with MolForge

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Related Compounds

pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol
CID 134698380
1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 50950126
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 53193333
(R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 124751770
[1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 118771614
3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 91832572
(R)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-pyridin-2-ylmethanol
CID 39809044
(R)-[1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 99933667
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 99942839
pyridin-2-yl-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]methanol
CID 77082634
[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 45210993
[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-3-yl)methanone
CID 171911436

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 124844163) is (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is Cc1ccc2[nH]c(CN3CCC([C@H](O)c4ccccn4)CC3)nc2c1C.
What is the InChIKey of (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is FUGDEZGSVJPNER-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-6-7-17-20(15(14)2)24-19(23-17)13-25-11-8-16(9-12-25)21(26)18-5-3-4-10-22-18/h3-7,10,16,21,26H,8-9,11-13H2,1-2H3,(H,23,24)/t21-/m0/s1.
What are the key properties of (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
(S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 350.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 124844163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).