2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone

C18H16N2O — CID 170857066

IUPAC2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2cccc3c2CCN3)c2ccccc21
InChIInChI=1S/C18H16N2O/c1-20-11-15(13-5-2-3-8-17(13)20)18(21)14-6-4-7-16-12(14)9-10-19-16/h2-8,11,19H,9-10H2,1H3
InChIKeyVDLIUSORWYPGAK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.38
Rot. Bonds2

About 2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone

2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone (PubChem CID 170857066) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone
PubChem CID170857066
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2cccc3c2CCN3)c2ccccc21
InChIInChI=1S/C18H16N2O/c1-20-11-15(13-5-2-3-8-17(13)20)18(21)14-6-4-7-16-12(14)9-10-19-16/h2-8,11,19H,9-10H2,1H3
InChIKeyVDLIUSORWYPGAK-UHFFFAOYSA-N
XLogP3.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylindole-3-carbothioic S-acid
CID 116918837
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454
[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
CID 116917320
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
(2-methylfuran-3-yl)-(1-methylindol-3-yl)methanone
CID 43463456
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
CID 81111128
(1-methylindol-3-yl)-quinoxalin-6-ylmethanone
CID 170857089
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone (CID 170857066) is 2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)c2cccc3c2CCN3)c2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone?
The InChIKey is VDLIUSORWYPGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-20-11-15(13-5-2-3-8-17(13)20)18(21)14-6-4-7-16-12(14)9-10-19-16/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone?
2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-4-yl-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 170857066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).