N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

C13H13ClF3N3 — CID 60702101

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCn1c(Cl)cnc1CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13ClF3N3/c1-20-11(14)7-19-12(20)8-18-6-9-2-4-10(5-3-9)13(15,16)17/h2-5,7,18H,6,8H2,1H3
InChIKeyHLHMRDHWMXJPTE-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.38
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 60702101) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID60702101
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCn1c(Cl)cnc1CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13ClF3N3/c1-20-11(14)7-19-12(20)8-18-6-9-2-4-10(5-3-9)13(15,16)17/h2-5,7,18H,6,8H2,1H3
InChIKeyHLHMRDHWMXJPTE-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 126819952
1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine
CID 62537628
2-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 43217289
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 115607872
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 60687993
N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 115682218
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
N-[(3,5-dichlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61037564
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N-[(3-chloro-4-methylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 106816801

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 60702101) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is Cn1c(Cl)cnc1CNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HLHMRDHWMXJPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c1-20-11(14)7-19-12(20)8-18-6-9-2-4-10(5-3-9)13(15,16)17/h2-5,7,18H,6,8H2,1H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.72 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 60702101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).