(1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine

C19H20FN3S — CID 92854436

IUPAC(1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
SMILESCSc1ccc(CN[C@H](c2ccccc2F)c2nccn2C)cc1
InChIInChI=1S/C19H20FN3S/c1-23-12-11-21-19(23)18(16-5-3-4-6-17(16)20)22-13-14-7-9-15(24-2)10-8-14/h3-12,18,22H,13H2,1-2H3/t18-/m1/s1
InChIKeyPUVZJQBILNLXQH-GOSISDBHSA-N
MW341.46 g/mol
LogP4.16
Rot. Bonds6

About (1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine

(1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine (PubChem CID 92854436) has the molecular formula C19H20FN3S and a molecular weight of 341.46 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
PubChem CID92854436
Molecular FormulaC19H20FN3S
Molecular Weight341.46 g/mol
Exact Mass341.14
IUPAC Name(1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
SMILESCSc1ccc(CN[C@H](c2ccccc2F)c2nccn2C)cc1
InChIInChI=1S/C19H20FN3S/c1-23-12-11-21-19(23)18(16-5-3-4-6-17(16)20)22-13-14-7-9-15(24-2)10-8-14/h3-12,18,22H,13H2,1-2H3/t18-/m1/s1
InChIKeyPUVZJQBILNLXQH-GOSISDBHSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854442
1-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154814655
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
2-(3,4-difluorophenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18102508
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 86854923
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)benzamide
CID 18102497
2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
3-(3,4-dimethylphenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 18207516
1-[2-(4-chlorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36505789
1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 166435620

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The IUPAC name of (1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine (CID 92854436) is (1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine is CSc1ccc(CN[C@H](c2ccccc2F)c2nccn2C)cc1.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
The InChIKey is PUVZJQBILNLXQH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20FN3S/c1-23-12-11-21-19(23)18(16-5-3-4-6-17(16)20)22-13-14-7-9-15(24-2)10-8-14/h3-12,18,22H,13H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine?
(1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine has a molecular weight of 341.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine is sourced from PubChem (CID 92854436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).