3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole

C25H21FN2 — CID 66555482

IUPAC3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole
SMILESCn1cc(C(c2ccc(F)cc2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H21FN2/c1-27-15-21(19-7-3-5-9-23(19)27)25(17-11-13-18(26)14-12-17)22-16-28(2)24-10-6-4-8-20(22)24/h3-16,25H,1-2H3
InChIKeyHBWAQRYDFHCMHT-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.99
Rot. Bonds3

About 3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole

3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole (PubChem CID 66555482) has the molecular formula C25H21FN2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole
PubChem CID66555482
Molecular FormulaC25H21FN2
Molecular Weight368.46 g/mol
Exact Mass368.17
IUPAC Name3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole
SMILESCn1cc(C(c2ccc(F)cc2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H21FN2/c1-27-15-21(19-7-3-5-9-23(19)27)25(17-11-13-18(26)14-12-17)22-16-28(2)24-10-6-4-8-20(22)24/h3-16,25H,1-2H3
InChIKeyHBWAQRYDFHCMHT-UHFFFAOYSA-N
XLogP5.99
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline
CID 86230420
1-methyl-3-propan-2-ylindole
CID 10942942
3-[bis(4-fluorophenyl)methyl]-1-methylindole-5-carboxylic acid
CID 139663873
1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
CID 177441153
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035
3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole
CID 145450963
1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole
CID 92720063
1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
CID 5087383
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
CID 42776899
1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole
CID 86091125

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole?
The IUPAC name of 3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole (CID 66555482) is 3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole.
What is the SMILES notation for 3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole?
The canonical SMILES for 3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole is Cn1cc(C(c2ccc(F)cc2)c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole?
The InChIKey is HBWAQRYDFHCMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2/c1-27-15-21(19-7-3-5-9-23(19)27)25(17-11-13-18(26)14-12-17)22-16-28(2)24-10-6-4-8-20(22)24/h3-16,25H,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole?
3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole has a molecular weight of 368.46 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole is sourced from PubChem (CID 66555482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).