6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole

C18H18N2 — CID 146580457

IUPAC6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole
SMILESCc1ccc2c(c1)N(Cc1ccc3cc[nH]c3c1)CC2
InChIInChI=1S/C18H18N2/c1-13-2-4-16-7-9-20(18(16)10-13)12-14-3-5-15-6-8-19-17(15)11-14/h2-6,8,10-11,19H,7,9,12H2,1H3
InChIKeyQZMNOZFDTVUWDT-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.04
Rot. Bonds2

About 6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole

6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole (PubChem CID 146580457) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole
PubChem CID146580457
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole
SMILESCc1ccc2c(c1)N(Cc1ccc3cc[nH]c3c1)CC2
InChIInChI=1S/C18H18N2/c1-13-2-4-16-7-9-20(18(16)10-13)12-14-3-5-15-6-8-19-17(15)11-14/h2-6,8,10-11,19H,7,9,12H2,1H3
InChIKeyQZMNOZFDTVUWDT-UHFFFAOYSA-N
XLogP4.04
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-[(6-methyl-2,3-dihydroindol-1-yl)methyl]isoquinoline
CID 166359693
hydron;6-methyl-1H-indole
CID 174894355
3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine
CID 165142452
1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
CID 59435409
N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102910050
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
6-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 103497168
4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one
CID 168657379
2-(1-benzyl-2,3-dihydroindol-6-yl)acetaldehyde
CID 115107244
1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83213196
2-tert-butyl-7-(1H-indol-6-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867025
1H-indole;2-methylnaphthalene
CID 20520049

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole?
The IUPAC name of 6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole (CID 146580457) is 6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole.
What is the SMILES notation for 6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole?
The canonical SMILES for 6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole is Cc1ccc2c(c1)N(Cc1ccc3cc[nH]c3c1)CC2.
What is the InChIKey of 6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole?
The InChIKey is QZMNOZFDTVUWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-2-4-16-7-9-20(18(16)10-13)12-14-3-5-15-6-8-19-17(15)11-14/h2-6,8,10-11,19H,7,9,12H2,1H3.
What are the key properties of 6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole?
6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole has a molecular weight of 262.36 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-2,3-dihydroindol-1-yl)methyl]-1H-indole is sourced from PubChem (CID 146580457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).