1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine

C25H30FN3O — CID 123891312

IUPAC1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine
SMILESCc1ccc(F)c(-c2cn(Cc3ccccc3)c(C(C3CCOCC3)N(C)C)n2)c1
InChIInChI=1S/C25H30FN3O/c1-18-9-10-22(26)21(15-18)23-17-29(16-19-7-5-4-6-8-19)25(27-23)24(28(2)3)20-11-13-30-14-12-20/h4-10,15,17,20,24H,11-14,16H2,1-3H3
InChIKeyDMWVIRGUVFPSPO-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.08
Rot. Bonds6

About 1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine

1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine (PubChem CID 123891312) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine
PubChem CID123891312
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine
SMILESCc1ccc(F)c(-c2cn(Cc3ccccc3)c(C(C3CCOCC3)N(C)C)n2)c1
InChIInChI=1S/C25H30FN3O/c1-18-9-10-22(26)21(15-18)23-17-29(16-19-7-5-4-6-8-19)25(27-23)24(28(2)3)20-11-13-30-14-12-20/h4-10,15,17,20,24H,11-14,16H2,1-3H3
InChIKeyDMWVIRGUVFPSPO-UHFFFAOYSA-N
XLogP5.08
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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SB 239063
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SB-210313
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CID 10525956
4-[3-(3-Ethoxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
CID 10544044
4-[4-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
CID 10619769
4-[5-(4-Fluorophenyl)-3-propan-2-ylimidazol-4-yl]pyridine
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CID 21219166
4-[5-(4-Fluoro-phenyl)-3-(tetrahydro-pyran-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 22464162

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine (CID 123891312) is 1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine is Cc1ccc(F)c(-c2cn(Cc3ccccc3)c(C(C3CCOCC3)N(C)C)n2)c1.
What is the InChIKey of 1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine?
The InChIKey is DMWVIRGUVFPSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-18-9-10-22(26)21(15-18)23-17-29(16-19-7-5-4-6-8-19)25(27-23)24(28(2)3)20-11-13-30-14-12-20/h4-10,15,17,20,24H,11-14,16H2,1-3H3.
What are the key properties of 1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine?
1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine has a molecular weight of 407.53 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 123891312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).