2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone

C22H18N2OS — CID 20940766

IUPAC2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone
SMILESCc1cc2ccccc2n1-c1ccc(C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C22H18N2OS/c1-15-14-17-7-3-5-9-19(17)24(15)21-11-10-20(26-21)22(25)23-13-12-16-6-2-4-8-18(16)23/h2-11,14H,12-13H2,1H3
InChIKeyHWNQKPPVVYCODC-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.20
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone

2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone (PubChem CID 20940766) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone
PubChem CID20940766
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone
SMILESCc1cc2ccccc2n1-c1ccc(C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C22H18N2OS/c1-15-14-17-7-3-5-9-19(17)24(15)21-11-10-20(26-21)22(25)23-13-12-16-6-2-4-8-18(16)23/h2-11,14H,12-13H2,1H3
InChIKeyHWNQKPPVVYCODC-UHFFFAOYSA-N
XLogP5.20
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone (CID 20940766) is 2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone is Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCc3ccccc32)s1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone?
The InChIKey is HWNQKPPVVYCODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-15-14-17-7-3-5-9-19(17)24(15)21-11-10-20(26-21)22(25)23-13-12-16-6-2-4-8-18(16)23/h2-11,14H,12-13H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone?
2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone has a molecular weight of 358.47 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-(2-methylindol-1-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 20940766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).