3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

C23H20N2O — CID 2944740

IUPAC3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1ccco1)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H20N2O/c1-14-21(16-8-3-5-10-18(16)24-14)23(20-12-7-13-26-20)22-15(2)25-19-11-6-4-9-17(19)22/h3-13,23-25H,1-2H3
InChIKeyHHGCMGFYSAVUJI-UHFFFAOYSA-N
MW340.43 g/mol
LogP6.04
Rot. Bonds3

About 3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (PubChem CID 2944740) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
PubChem CID2944740
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1ccco1)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H20N2O/c1-14-21(16-8-3-5-10-18(16)24-14)23(20-12-7-13-26-20)22-15(2)25-19-11-6-4-9-17(19)22/h3-13,23-25H,1-2H3
InChIKeyHHGCMGFYSAVUJI-UHFFFAOYSA-N
XLogP6.04
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

CID 5278452
CID 5278452
CID 3385437
CID 3385437
CID 3921152
CID 3921152
CID 5330527
CID 5330527
CID 5330528
CID 5330528
CID 5330541
CID 5330541
CID 5330545
CID 5330545
CID 5330546
CID 5330546
CID 5330549
CID 5330549
CID 5330555
CID 5330555
CID 5330556
CID 5330556
CID 5330561
CID 5330561

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (CID 2944740) is 3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C(c1ccco1)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The InChIKey is HHGCMGFYSAVUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-14-21(16-8-3-5-10-18(16)24-14)23(20-12-7-13-26-20)22-15(2)25-19-11-6-4-9-17(19)22/h3-13,23-25H,1-2H3.
What are the key properties of 3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole has a molecular weight of 340.43 g/mol, XLogP of 6.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 2944740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).