1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine

C16H18F3N3 — CID 99823062

IUPAC1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
SMILESCn1cncc1CNCC1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H18F3N3/c1-22-11-21-9-14(22)8-20-10-15(6-7-15)12-2-4-13(5-3-12)16(17,18)19/h2-5,9,11,20H,6-8,10H2,1H3
InChIKeyCHLMEOVCIDXWCL-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.26
Rot. Bonds5

About 1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine

1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine (PubChem CID 99823062) has the molecular formula C16H18F3N3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
PubChem CID99823062
Molecular FormulaC16H18F3N3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
SMILESCn1cncc1CNCC1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H18F3N3/c1-22-11-21-9-14(22)8-20-10-15(6-7-15)12-2-4-13(5-3-12)16(17,18)19/h2-5,9,11,20H,6-8,10H2,1H3
InChIKeyCHLMEOVCIDXWCL-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine?
The IUPAC name of 1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine (CID 99823062) is 1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine is Cn1cncc1CNCC1(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine?
The InChIKey is CHLMEOVCIDXWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3/c1-22-11-21-9-14(22)8-20-10-15(6-7-15)12-2-4-13(5-3-12)16(17,18)19/h2-5,9,11,20H,6-8,10H2,1H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine?
1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine has a molecular weight of 309.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine is sourced from PubChem (CID 99823062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).