2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole

C22H22N2O3 — CID 53469637

IUPAC2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
SMILESCOc1cc(Cc2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H22N2O3/c1-25-19-11-14(12-20(26-2)22(19)27-3)10-17-16-6-4-5-7-18(16)24-21(17)15-8-9-23-13-15/h4-9,11-13,23-24H,10H2,1-3H3
InChIKeyCOZGDXZMYRUMLS-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.78
Rot. Bonds6

About 2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole

2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole (PubChem CID 53469637) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
PubChem CID53469637
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
SMILESCOc1cc(Cc2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H22N2O3/c1-25-19-11-14(12-20(26-2)22(19)27-3)10-17-16-6-4-5-7-18(16)24-21(17)15-8-9-23-13-15/h4-9,11-13,23-24H,10H2,1-3H3
InChIKeyCOZGDXZMYRUMLS-UHFFFAOYSA-N
XLogP4.78
TPSA59.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The IUPAC name of 2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole (CID 53469637) is 2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole is COc1cc(Cc2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The InChIKey is COZGDXZMYRUMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-25-19-11-14(12-20(26-2)22(19)27-3)10-17-16-6-4-5-7-18(16)24-21(17)15-8-9-23-13-15/h4-9,11-13,23-24H,10H2,1-3H3.
What are the key properties of 2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole has a molecular weight of 362.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 53469637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).