1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole

C23H20N2S — CID 5087383

IUPAC1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
SMILESCn1cc(C(c2cccs2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H20N2S/c1-24-14-18(16-8-3-5-10-20(16)24)23(22-12-7-13-26-22)19-15-25(2)21-11-6-4-9-17(19)21/h3-15,23H,1-2H3
InChIKeyBTIVYBPNVPJXKY-UHFFFAOYSA-N
MW356.49 g/mol
LogP5.91
Rot. Bonds3

About 1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole

1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole (PubChem CID 5087383) has the molecular formula C23H20N2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole.

Molecular Properties

Compound Name1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
PubChem CID5087383
Molecular FormulaC23H20N2S
Molecular Weight356.49 g/mol
Exact Mass356.13
IUPAC Name1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
SMILESCn1cc(C(c2cccs2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H20N2S/c1-24-14-18(16-8-3-5-10-20(16)24)23(22-12-7-13-26-22)19-15-25(2)21-11-6-4-9-17(19)21/h3-15,23H,1-2H3
InChIKeyBTIVYBPNVPJXKY-UHFFFAOYSA-N
XLogP5.91
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole
CID 92720063
1-methyl-3-(1-thiophen-2-ylethyl)indole
CID 23649825
1-methyl-3-propan-2-ylindole
CID 10942942
N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774772
1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
CID 177441153
3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole
CID 66555482
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole
CID 86091125
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
CID 42774774
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774807
2-[bis(2-methylphenyl)methyl]thiophene
CID 70541679

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole?
The IUPAC name of 1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole (CID 5087383) is 1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole.
What is the SMILES notation for 1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole?
The canonical SMILES for 1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole is Cn1cc(C(c2cccs2)c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole?
The InChIKey is BTIVYBPNVPJXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2S/c1-24-14-18(16-8-3-5-10-20(16)24)23(22-12-7-13-26-22)19-15-25(2)21-11-6-4-9-17(19)21/h3-15,23H,1-2H3.
What are the key properties of 1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole?
1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole has a molecular weight of 356.49 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole is sourced from PubChem (CID 5087383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).