4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine

C17H23F3N4 — CID 164558134

IUPAC4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
SMILESC=C(C)NC1CCC(NC2CC=Cc3nc(C(F)(F)F)cn32)CC1
InChIInChI=1S/C17H23F3N4/c1-11(2)21-12-6-8-13(9-7-12)22-15-4-3-5-16-23-14(10-24(15)16)17(18,19)20/h3,5,10,12-13,15,21-22H,1,4,6-9H2,2H3
InChIKeySFSALZSEMJSVQB-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.84
Rot. Bonds4

About 4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine

4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine (PubChem CID 164558134) has the molecular formula C17H23F3N4 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
PubChem CID164558134
Molecular FormulaC17H23F3N4
Molecular Weight340.39 g/mol
Exact Mass340.19
IUPAC Name4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
SMILESC=C(C)NC1CCC(NC2CC=Cc3nc(C(F)(F)F)cn32)CC1
InChIInChI=1S/C17H23F3N4/c1-11(2)21-12-6-8-13(9-7-12)22-15-4-3-5-16-23-14(10-24(15)16)17(18,19)20/h3,5,10,12-13,15,21-22H,1,4,6-9H2,2H3
InChIKeySFSALZSEMJSVQB-UHFFFAOYSA-N
XLogP3.84
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine (CID 164558134) is 4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine is C=C(C)NC1CCC(NC2CC=Cc3nc(C(F)(F)F)cn32)CC1.
What is the InChIKey of 4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The InChIKey is SFSALZSEMJSVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4/c1-11(2)21-12-6-8-13(9-7-12)22-15-4-3-5-16-23-14(10-24(15)16)17(18,19)20/h3,5,10,12-13,15,21-22H,1,4,6-9H2,2H3.
What are the key properties of 4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine has a molecular weight of 340.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 164558134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).