2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine

C17H25N3O — CID 66178753

IUPAC2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine
SMILESCC(C)CC1(C)CNCC(c2nc3ccccc3n2C)O1
InChIInChI=1S/C17H25N3O/c1-12(2)9-17(3)11-18-10-15(21-17)16-19-13-7-5-6-8-14(13)20(16)4/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyOJQVQZNVFIZCHX-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.04
Rot. Bonds3

About 2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine

2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine (PubChem CID 66178753) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine
PubChem CID66178753
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine
SMILESCC(C)CC1(C)CNCC(c2nc3ccccc3n2C)O1
InChIInChI=1S/C17H25N3O/c1-12(2)9-17(3)11-18-10-15(21-17)16-19-13-7-5-6-8-14(13)20(16)4/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyOJQVQZNVFIZCHX-UHFFFAOYSA-N
XLogP3.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine
CID 65102327
6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine
CID 66179735
1-methyl-2-[(1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]benzimidazole
CID 122393773
3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 43325770
2,3,3-trimethyl-4-(1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 102628107
N-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]azetidin-3-amine
CID 66185196
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
2-[1-(2-methoxyethyl)benzimidazol-2-yl]morpholine;dihydrochloride
CID 170916966
2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole
CID 82993712
1-methyl-2-[5-(2-methylpropylsulfonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]benzimidazole
CID 154581406
1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
CID 167934115
2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole
CID 40692544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine?
The IUPAC name of 2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine (CID 66178753) is 2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine?
The canonical SMILES for 2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine is CC(C)CC1(C)CNCC(c2nc3ccccc3n2C)O1.
What is the InChIKey of 2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine?
The InChIKey is OJQVQZNVFIZCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)9-17(3)11-18-10-15(21-17)16-19-13-7-5-6-8-14(13)20(16)4/h5-8,12,15,18H,9-11H2,1-4H3.
What are the key properties of 2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine?
2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine has a molecular weight of 287.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine is sourced from PubChem (CID 66178753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).