ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium

C23H28F3N4+ — CID 143944168

IUPACethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium
SMILESCC.Cn1c(-c2ccc(C(F)(F)F)cc2)nc2c1CN(Cc1ccccc1[NH3+])CC2
InChIInChI=1S/C21H21F3N4.C2H6/c1-27-19-13-28(12-15-4-2-3-5-17(15)25)11-10-18(19)26-20(27)14-6-8-16(9-7-14)21(22,23)24;1-2/h2-9H,10-13,25H2,1H3;1-2H3/p+1
InChIKeyJPSOPVFECJGYOG-UHFFFAOYSA-O
MW417.50 g/mol
LogP4.56
Rot. Bonds3

About ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium

ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium (PubChem CID 143944168) has the molecular formula C23H28F3N4+ and a molecular weight of 417.50 g/mol. Its IUPAC name is ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium.

Molecular Properties

Compound Nameethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium
PubChem CID143944168
Molecular FormulaC23H28F3N4+
Molecular Weight417.50 g/mol
Exact Mass417.23
IUPAC Nameethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium
SMILESCC.Cn1c(-c2ccc(C(F)(F)F)cc2)nc2c1CN(Cc1ccccc1[NH3+])CC2
InChIInChI=1S/C21H21F3N4.C2H6/c1-27-19-13-28(12-15-4-2-3-5-17(15)25)11-10-18(19)26-20(27)14-6-8-16(9-7-14)21(22,23)24;1-2/h2-9H,10-13,25H2,1H3;1-2H3/p+1
InChIKeyJPSOPVFECJGYOG-UHFFFAOYSA-O
XLogP4.56
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-3-methyl-5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 143944225
3-methyl-5-[(5-methyl-1H-imidazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 143944253
2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 136631599
2-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916327
3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916451
[difluoro-[4-[5-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenoxy]methyl]phosphane
CID 143944150
5-[(2,5-dimethoxyphenyl)methyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916324
2-[(3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 70916412
1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea
CID 70916338
5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916452
7-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930273
5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 143944200

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium?
The IUPAC name of ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium (CID 143944168) is ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium.
What is the SMILES notation for ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium?
The canonical SMILES for ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium is CC.Cn1c(-c2ccc(C(F)(F)F)cc2)nc2c1CN(Cc1ccccc1[NH3+])CC2.
What is the InChIKey of ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium?
The InChIKey is JPSOPVFECJGYOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H21F3N4.C2H6/c1-27-19-13-28(12-15-4-2-3-5-17(15)25)11-10-18(19)26-20(27)14-6-8-16(9-7-14)21(22,23)24;1-2/h2-9H,10-13,25H2,1H3;1-2H3/p+1.
What are the key properties of ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium?
ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium has a molecular weight of 417.50 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium is sourced from PubChem (CID 143944168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).