3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride

C25H20ClF3N2 — CID 175089456

IUPAC3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride
SMILESCc1cccc2[nH]cc(C(c3ccc(C(F)(F)F)cc3)c3c[nH]c4ccccc34)c12.Cl
InChIInChI=1S/C25H19F3N2.ClH/c1-15-5-4-8-22-23(15)20(14-30-22)24(16-9-11-17(12-10-16)25(26,27)28)19-13-29-21-7-3-2-6-18(19)21;/h2-14,24,29-30H,1H3;1H
InChIKeyVVIWNBHRCOMTTA-UHFFFAOYSA-N
MW440.90 g/mol
LogP7.58
Rot. Bonds3

About 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride

3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride (PubChem CID 175089456) has the molecular formula C25H20ClF3N2 and a molecular weight of 440.90 g/mol. Its IUPAC name is 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride.

Molecular Properties

Compound Name3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride
PubChem CID175089456
Molecular FormulaC25H20ClF3N2
Molecular Weight440.90 g/mol
Exact Mass440.13
IUPAC Name3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride
SMILESCc1cccc2[nH]cc(C(c3ccc(C(F)(F)F)cc3)c3c[nH]c4ccccc34)c12.Cl
InChIInChI=1S/C25H19F3N2.ClH/c1-15-5-4-8-22-23(15)20(14-30-22)24(16-9-11-17(12-10-16)25(26,27)28)19-13-29-21-7-3-2-6-18(19)21;/h2-14,24,29-30H,1H3;1H
InChIKeyVVIWNBHRCOMTTA-UHFFFAOYSA-N
XLogP7.58
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.90
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]indole
CID 139526216
3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol
CID 139526498
1-[3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-yl]benzotriazole
CID 155772221
dimethyl 2-amino-2-[(S)-1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]propanedioate
CID 122214280
4-methyl-3-propan-2-yl-1H-indole
CID 123915873
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine
CID 84737103
3-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-4-methyl-1H-indole
CID 137278057
4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline
CID 134960683
1-(4-methyl-1H-indol-3-yl)ethanamine
CID 82598720
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035

Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride?
The IUPAC name of 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride (CID 175089456) is 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride.
What is the SMILES notation for 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride?
The canonical SMILES for 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride is Cc1cccc2[nH]cc(C(c3ccc(C(F)(F)F)cc3)c3c[nH]c4ccccc34)c12.Cl.
What is the InChIKey of 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride?
The InChIKey is VVIWNBHRCOMTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2.ClH/c1-15-5-4-8-22-23(15)20(14-30-22)24(16-9-11-17(12-10-16)25(26,27)28)19-13-29-21-7-3-2-6-18(19)21;/h2-14,24,29-30H,1H3;1H.
What are the key properties of 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride?
3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride has a molecular weight of 440.90 g/mol, XLogP of 7.58, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride is sourced from PubChem (CID 175089456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).