[4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol

C15H21N3O2 — CID 114779827

IUPAC[4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2nc3ccccc3[nH]2)CC(CO)O1
InChIInChI=1S/C15H21N3O2/c1-15(2)10-18(7-11(9-19)20-15)8-14-16-12-5-3-4-6-13(12)17-14/h3-6,11,19H,7-10H2,1-2H3,(H,16,17)
InChIKeyJVZPRNUGZVKJFK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.53
Rot. Bonds3

About [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779827) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779827
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2nc3ccccc3[nH]2)CC(CO)O1
InChIInChI=1S/C15H21N3O2/c1-15(2)10-18(7-11(9-19)20-15)8-14-16-12-5-3-4-6-13(12)17-14/h3-6,11,19H,7-10H2,1-2H3,(H,16,17)
InChIKeyJVZPRNUGZVKJFK-UHFFFAOYSA-N
XLogP1.53
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol 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

[4-(1H-benzimidazol-2-ylmethyl)-6-methylmorpholin-2-yl]methanol
CID 102935708
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126891986
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474
(3aS,6aR)-5-(1H-benzimidazol-2-ylmethyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid
CID 56897750
2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine
CID 102742944
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
[4-[(4-fluoro-2-methylphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779732
[4-(1H-benzimidazol-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102935152
2-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126892606
(6R)-1-(1H-benzimidazol-2-ylmethyl)-4-(furan-3-ylmethyl)-1,4-diazepan-6-ol
CID 99994580
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114779827) is [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(Cc2nc3ccccc3[nH]2)CC(CO)O1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is JVZPRNUGZVKJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2)10-18(7-11(9-19)20-15)8-14-16-12-5-3-4-6-13(12)17-14/h3-6,11,19H,7-10H2,1-2H3,(H,16,17).
What are the key properties of [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 275.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).