[4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol

C13H17N3O2 — CID 102935152

IUPAC[4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2nc3ccccc3[nH]2)CC(CO)O1
InChIInChI=1S/C13H17N3O2/c1-9-6-16(7-10(8-17)18-9)13-14-11-4-2-3-5-12(11)15-13/h2-5,9-10,17H,6-8H2,1H3,(H,14,15)
InChIKeyUMSGJGPGBVAJBN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.15
Rot. Bonds2

About [4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol

[4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102935152) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol
PubChem CID102935152
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2nc3ccccc3[nH]2)CC(CO)O1
InChIInChI=1S/C13H17N3O2/c1-9-6-16(7-10(8-17)18-9)13-14-11-4-2-3-5-12(11)15-13/h2-5,9-10,17H,6-8H2,1H3,(H,14,15)
InChIKeyUMSGJGPGBVAJBN-UHFFFAOYSA-N
XLogP1.15
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-benzimidazol-2-ylmethyl)-6-methylmorpholin-2-yl]methanol
CID 102935708
(6-methyl-4-quinolin-2-ylmorpholin-2-yl)methanol
CID 102935336
[4-(6-fluoro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933936
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol
CID 102935217
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
(2S,6S)-4-(1H-benzimidazol-2-yl)-2-methyl-1,8-dioxa-4-azaspiro[5.5]undecane
CID 124887240
[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 20882839
[4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779827
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935173
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
[4-(2-amino-3-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102932034

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol (CID 102935152) is [4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol is CC1CN(c2nc3ccccc3[nH]2)CC(CO)O1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is UMSGJGPGBVAJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-6-16(7-10(8-17)18-9)13-14-11-4-2-3-5-12(11)15-13/h2-5,9-10,17H,6-8H2,1H3,(H,14,15).
What are the key properties of [4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol?
[4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).