1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine

C23H26F2N4 — CID 164558145

IUPAC1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine
SMILESC=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1cccc(C)c1
InChIInChI=1S/C23H26F2N4/c1-15-5-3-6-17(13-15)16(2)26-18-9-11-19(12-10-18)27-21-7-4-8-22-28-20(23(24)25)14-29(21)22/h3-8,13-14,18-19,23,26-27H,2,9-12H2,1H3
InChIKeyUWTGAVJSPBUGRV-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.56
Rot. Bonds6

About 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine

1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine (PubChem CID 164558145) has the molecular formula C23H26F2N4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine
PubChem CID164558145
Molecular FormulaC23H26F2N4
Molecular Weight396.49 g/mol
Exact Mass396.21
IUPAC Name1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine
SMILESC=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1cccc(C)c1
InChIInChI=1S/C23H26F2N4/c1-15-5-3-6-17(13-15)16(2)26-18-9-11-19(12-10-18)27-21-7-4-8-22-28-20(23(24)25)14-29(21)22/h3-8,13-14,18-19,23,26-27H,2,9-12H2,1H3
InChIKeyUWTGAVJSPBUGRV-UHFFFAOYSA-N
XLogP5.56
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine (CID 164558145) is 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine is C=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1cccc(C)c1.
What is the InChIKey of 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine?
The InChIKey is UWTGAVJSPBUGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4/c1-15-5-3-6-17(13-15)16(2)26-18-9-11-19(12-10-18)27-21-7-4-8-22-28-20(23(24)25)14-29(21)22/h3-8,13-14,18-19,23,26-27H,2,9-12H2,1H3.
What are the key properties of 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine?
1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine has a molecular weight of 396.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 164558145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).