N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine

C18H25N3O — CID 29116103

IUPACN-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine
SMILESCc1[nH]c(-c2ccccc2)nc1CN(C)C[C@H]1CCCCO1
InChIInChI=1S/C18H25N3O/c1-14-17(13-21(2)12-16-10-6-7-11-22-16)20-18(19-14)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyGACJGAIENZOOPJ-MRXNPFEDSA-N
MW299.42 g/mol
LogP3.39
Rot. Bonds5

About N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine

N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine (PubChem CID 29116103) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine
PubChem CID29116103
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine
SMILESCc1[nH]c(-c2ccccc2)nc1CN(C)C[C@H]1CCCCO1
InChIInChI=1S/C18H25N3O/c1-14-17(13-21(2)12-16-10-6-7-11-22-16)20-18(19-14)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyGACJGAIENZOOPJ-MRXNPFEDSA-N
XLogP3.39
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
CID 99613583
N-methyl-1-(oxan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 86825192
N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 155799698
3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 103182165
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
CID 124843396
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
N-[[6-[[methyl(oxan-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906089
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557383
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 54579774
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine (CID 29116103) is N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine is Cc1[nH]c(-c2ccccc2)nc1CN(C)C[C@H]1CCCCO1.
What is the InChIKey of N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine?
The InChIKey is GACJGAIENZOOPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-17(13-21(2)12-16-10-6-7-11-22-16)20-18(19-14)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine?
N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine has a molecular weight of 299.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine is sourced from PubChem (CID 29116103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).