(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine

C19H19F2N3 — CID 99626012

IUPAC(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
SMILESC[C@H](NCc1nccn1Cc1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C19H19F2N3/c1-14(16-9-17(20)11-18(21)10-16)23-12-19-22-7-8-24(19)13-15-5-3-2-4-6-15/h2-11,14,23H,12-13H2,1H3/t14-/m0/s1
InChIKeyULVCCLGGFDAOJJ-AWEZNQCLSA-N
MW327.38 g/mol
LogP4.06
Rot. Bonds6

About (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine

(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine (PubChem CID 99626012) has the molecular formula C19H19F2N3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
PubChem CID99626012
Molecular FormulaC19H19F2N3
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
SMILESC[C@H](NCc1nccn1Cc1ccccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C19H19F2N3/c1-14(16-9-17(20)11-18(21)10-16)23-12-19-22-7-8-24(19)13-15-5-3-2-4-6-15/h2-11,14,23H,12-13H2,1H3/t14-/m0/s1
InChIKeyULVCCLGGFDAOJJ-AWEZNQCLSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 71931133
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 97323098
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 45241917
2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
CID 105405211
1-[(1-benzylimidazol-2-yl)methyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine
CID 111794142

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine (CID 99626012) is (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine is C[C@H](NCc1nccn1Cc1ccccc1)c1cc(F)cc(F)c1.
What is the InChIKey of (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine?
The InChIKey is ULVCCLGGFDAOJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19F2N3/c1-14(16-9-17(20)11-18(21)10-16)23-12-19-22-7-8-24(19)13-15-5-3-2-4-6-15/h2-11,14,23H,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine?
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine has a molecular weight of 327.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 99626012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).