N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine

C20H21F2N3 — CID 87017978

IUPACN-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine
SMILESCC(c1cc(F)ccc1F)N(C)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C20H21F2N3/c1-15(18-12-17(21)8-9-19(18)22)24(2)14-20-23-10-11-25(20)13-16-6-4-3-5-7-16/h3-12,15H,13-14H2,1-2H3
InChIKeyBEFHQJKMWSJMCX-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.40
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine

N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 87017978) has the molecular formula C20H21F2N3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID87017978
Molecular FormulaC20H21F2N3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine
SMILESCC(c1cc(F)ccc1F)N(C)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C20H21F2N3/c1-15(18-12-17(21)8-9-19(18)22)24(2)14-20-23-10-11-25(20)13-16-6-4-3-5-7-16/h3-12,15H,13-14H2,1-2H3
InChIKeyBEFHQJKMWSJMCX-UHFFFAOYSA-N
XLogP4.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-5-fluoro-N-methyl-1,3-benzoxazol-2-amine
CID 133324481
N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)-N-methylpyridazin-3-amine
CID 133324440
N-[(1-benzylimidazol-2-yl)methyl]-3-(4-fluorophenoxy)-N-methylpropan-1-amine
CID 78870193
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012
N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 11952316
N-[(1-benzylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 133403457
2-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine
CID 111285825
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide
CID 78877155

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine (CID 87017978) is N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine is CC(c1cc(F)ccc1F)N(C)Cc1nccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is BEFHQJKMWSJMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3/c1-15(18-12-17(21)8-9-19(18)22)24(2)14-20-23-10-11-25(20)13-16-6-4-3-5-7-16/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine?
N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine has a molecular weight of 341.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-1-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 87017978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).