1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine

C12H14FN3O — CID 65096444

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine
SMILESCOc1ccc(Cn2c(C)cnc2N)cc1F
InChIInChI=1S/C12H14FN3O/c1-8-6-15-12(14)16(8)7-9-3-4-11(17-2)10(13)5-9/h3-6H,7H2,1-2H3,(H2,14,15)
InChIKeySRDHNQZTKKYHBF-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.97
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine

1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine (PubChem CID 65096444) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine
PubChem CID65096444
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine
SMILESCOc1ccc(Cn2c(C)cnc2N)cc1F
InChIInChI=1S/C12H14FN3O/c1-8-6-15-12(14)16(8)7-9-3-4-11(17-2)10(13)5-9/h3-6H,7H2,1-2H3,(H2,14,15)
InChIKeySRDHNQZTKKYHBF-UHFFFAOYSA-N
XLogP1.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
methyl 3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65171310
2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
CID 20511335
1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62950536
5-bromo-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole
CID 83666011
[2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261518
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine
CID 58054511
4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
CID 82480154
[1-amino-2-(3-fluoro-4-methoxyphenyl)ethylidene]azanium
CID 6347254
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82303624
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
CID 3666189
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine (CID 65096444) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine is COc1ccc(Cn2c(C)cnc2N)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine?
The InChIKey is SRDHNQZTKKYHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-6-15-12(14)16(8)7-9-3-4-11(17-2)10(13)5-9/h3-6H,7H2,1-2H3,(H2,14,15).
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine?
1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine has a molecular weight of 235.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine is sourced from PubChem (CID 65096444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).