(2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine

C26H34N4O — CID 24815515

IUPAC(2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine
SMILESC[C@@H]1CN(c2cccc(C3CCN(Cc4nc5ccccc5n4C)CC3)c2)C[C@H](C)O1
InChIInChI=1S/C26H34N4O/c1-19-16-30(17-20(2)31-19)23-8-6-7-22(15-23)21-11-13-29(14-12-21)18-26-27-24-9-4-5-10-25(24)28(26)3/h4-10,15,19-21H,11-14,16-18H2,1-3H3/t19-,20+
InChIKeyBUJAZTUWZTWHGR-BGYRXZFFSA-N
MW418.59 g/mol
LogP4.57
Rot. Bonds4

About (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine

(2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine (PubChem CID 24815515) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine
PubChem CID24815515
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name(2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine
SMILESC[C@@H]1CN(c2cccc(C3CCN(Cc4nc5ccccc5n4C)CC3)c2)C[C@H](C)O1
InChIInChI=1S/C26H34N4O/c1-19-16-30(17-20(2)31-19)23-8-6-7-22(15-23)21-11-13-29(14-12-21)18-26-27-24-9-4-5-10-25(24)28(26)3/h4-10,15,19-21H,11-14,16-18H2,1-3H3/t19-,20+
InChIKeyBUJAZTUWZTWHGR-BGYRXZFFSA-N
XLogP4.57
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine with MolForge

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Related Compounds

1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole
CID 24849559
1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
CID 24815438
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
2-[[(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylbenzimidazole
CID 69245438
1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 95845112
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole
CID 46225583
4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166632835
4-(2,6-dimethylmorpholin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]butan-1-amine
CID 119110487
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124815112

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine (CID 24815515) is (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine is C[C@@H]1CN(c2cccc(C3CCN(Cc4nc5ccccc5n4C)CC3)c2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine?
The InChIKey is BUJAZTUWZTWHGR-BGYRXZFFSA-N. The full InChI is InChI=1S/C26H34N4O/c1-19-16-30(17-20(2)31-19)23-8-6-7-22(15-23)21-11-13-29(14-12-21)18-26-27-24-9-4-5-10-25(24)28(26)3/h4-10,15,19-21H,11-14,16-18H2,1-3H3/t19-,20+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine has a molecular weight of 418.59 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine is sourced from PubChem (CID 24815515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).