2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole

C24H18ClNO — CID 162644532

IUPAC2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole
SMILESCc1c(C(c2ccc(Cl)cc2)c2cc3ccccc3o2)[nH]c2ccccc12
InChIInChI=1S/C24H18ClNO/c1-15-19-7-3-4-8-20(19)26-24(15)23(16-10-12-18(25)13-11-16)22-14-17-6-2-5-9-21(17)27-22/h2-14,23,26H,1H3
InChIKeyQUIIHHQBXKAACM-UHFFFAOYSA-N
MW371.87 g/mol
LogP7.06
Rot. Bonds3

About 2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole

2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole (PubChem CID 162644532) has the molecular formula C24H18ClNO and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole.

Molecular Properties

Compound Name2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole
PubChem CID162644532
Molecular FormulaC24H18ClNO
Molecular Weight371.87 g/mol
Exact Mass371.11
IUPAC Name2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole
SMILESCc1c(C(c2ccc(Cl)cc2)c2cc3ccccc3o2)[nH]c2ccccc12
InChIInChI=1S/C24H18ClNO/c1-15-19-7-3-4-8-20(19)26-24(15)23(16-10-12-18(25)13-11-16)22-14-17-6-2-5-9-21(17)27-22/h2-14,23,26H,1H3
InChIKeyQUIIHHQBXKAACM-UHFFFAOYSA-N
XLogP7.06
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole?
The IUPAC name of 2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole (CID 162644532) is 2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole.
What is the SMILES notation for 2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole?
The canonical SMILES for 2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole is Cc1c(C(c2ccc(Cl)cc2)c2cc3ccccc3o2)[nH]c2ccccc12.
What is the InChIKey of 2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole?
The InChIKey is QUIIHHQBXKAACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO/c1-15-19-7-3-4-8-20(19)26-24(15)23(16-10-12-18(25)13-11-16)22-14-17-6-2-5-9-21(17)27-22/h2-14,23,26H,1H3.
What are the key properties of 2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole?
2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole has a molecular weight of 371.87 g/mol, XLogP of 7.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-3-methyl-1H-indole is sourced from PubChem (CID 162644532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).