N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine

C23H21F4N3O2 — CID 70875063

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CNC2C(c3ccc(C(F)(F)F)c(F)c3)N=C3C=CC=CN32)cc1OC
InChIInChI=1S/C23H21F4N3O2/c1-31-18-9-6-14(11-19(18)32-2)13-28-22-21(29-20-5-3-4-10-30(20)22)15-7-8-16(17(24)12-15)23(25,26)27/h3-12,21-22,28H,13H2,1-2H3
InChIKeyFMCRRBPSSNJTGX-UHFFFAOYSA-N
MW447.43 g/mol
LogP4.82
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine

N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine (PubChem CID 70875063) has the molecular formula C23H21F4N3O2 and a molecular weight of 447.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine
PubChem CID70875063
Molecular FormulaC23H21F4N3O2
Molecular Weight447.43 g/mol
Exact Mass447.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CNC2C(c3ccc(C(F)(F)F)c(F)c3)N=C3C=CC=CN32)cc1OC
InChIInChI=1S/C23H21F4N3O2/c1-31-18-9-6-14(11-19(18)32-2)13-28-22-21(29-20-5-3-4-10-30(20)22)15-7-8-16(17(24)12-15)23(25,26)27/h3-12,21-22,28H,13H2,1-2H3
InChIKeyFMCRRBPSSNJTGX-UHFFFAOYSA-N
XLogP4.82
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine (CID 70875063) is N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine is COc1ccc(CNC2C(c3ccc(C(F)(F)F)c(F)c3)N=C3C=CC=CN32)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
The InChIKey is FMCRRBPSSNJTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3O2/c1-31-18-9-6-14(11-19(18)32-2)13-28-22-21(29-20-5-3-4-10-30(20)22)15-7-8-16(17(24)12-15)23(25,26)27/h3-12,21-22,28H,13H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine has a molecular weight of 447.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 70875063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).