1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine

C11H11F2N3 — CID 63076477

IUPAC1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(F)c(-n2ccnc2)c(F)c1
InChIInChI=1S/C11H11F2N3/c1-14-6-8-4-9(12)11(10(13)5-8)16-3-2-15-7-16/h2-5,7,14H,6H2,1H3
InChIKeyMITJNJVJZHAXJY-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.87
Rot. Bonds3

About 1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine

1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine (PubChem CID 63076477) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine
PubChem CID63076477
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(F)c(-n2ccnc2)c(F)c1
InChIInChI=1S/C11H11F2N3/c1-14-6-8-4-9(12)11(10(13)5-8)16-3-2-15-7-16/h2-5,7,14H,6H2,1H3
InChIKeyMITJNJVJZHAXJY-UHFFFAOYSA-N
XLogP1.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole
CID 63077070
1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine
CID 63076995
3,5-difluoro-4-imidazol-1-ylbenzoic acid
CID 63078087
O-methyl N-[[1-(3,5-difluoro-4-imidazol-1-ylphenyl)triazol-4-yl]methyl]carbamothioate
CID 11484897
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine
CID 63051245
4-[2,6-difluoro-4-(methylaminomethyl)phenyl]piperazin-2-one
CID 55145830
1-[3,5-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylmethanamine
CID 66371529
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
CID 47958616
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine (CID 63076477) is 1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine is CNCc1cc(F)c(-n2ccnc2)c(F)c1.
What is the InChIKey of 1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine?
The InChIKey is MITJNJVJZHAXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-14-6-8-4-9(12)11(10(13)5-8)16-3-2-15-7-16/h2-5,7,14H,6H2,1H3.
What are the key properties of 1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine?
1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine has a molecular weight of 223.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 63076477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).