N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine

C12H12F3N3 — CID 113263576

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine
SMILESCn1ccnc1CNCc1cc(F)c(F)cc1F
InChIInChI=1S/C12H12F3N3/c1-18-3-2-17-12(18)7-16-6-8-4-10(14)11(15)5-9(8)13/h2-5,16H,6-7H2,1H3
InChIKeyVPCLKFWXVHKDKO-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.13
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine

N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine (PubChem CID 113263576) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine
PubChem CID113263576
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine
SMILESCn1ccnc1CNCc1cc(F)c(F)cc1F
InChIInChI=1S/C12H12F3N3/c1-18-3-2-17-12(18)7-16-6-8-4-10(14)11(15)5-9(8)13/h2-5,16H,6-7H2,1H3
InChIKeyVPCLKFWXVHKDKO-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 112652047
N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79737938
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
N-[(1-methylimidazol-2-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 62350133
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 106263450
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 63006064
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001857
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 107740789

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine (CID 113263576) is N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine is Cn1ccnc1CNCc1cc(F)c(F)cc1F.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is VPCLKFWXVHKDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-18-3-2-17-12(18)7-16-6-8-4-10(14)11(15)5-9(8)13/h2-5,16H,6-7H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 255.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 113263576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).