6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole

C24H21N3O2 — CID 46228784

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole
SMILESCOc1ccc(Oc2ccc(-c3cc4ccc(C5=NCCN5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-28-19-8-10-21(11-9-19)29-20-6-4-16(5-7-20)22-14-17-2-3-18(15-23(17)27-22)24-25-12-13-26-24/h2-11,14-15,27H,12-13H2,1H3,(H,25,26)
InChIKeyDTQHTIHDODVPBI-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.99
Rot. Bonds5

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole (PubChem CID 46228784) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole
PubChem CID46228784
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole
SMILESCOc1ccc(Oc2ccc(-c3cc4ccc(C5=NCCN5)cc4[nH]3)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-28-19-8-10-21(11-9-19)29-20-6-4-16(5-7-20)22-14-17-2-3-18(15-23(17)27-22)24-25-12-13-26-24/h2-11,14-15,27H,12-13H2,1H3,(H,25,26)
InChIKeyDTQHTIHDODVPBI-UHFFFAOYSA-N
XLogP4.99
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole (CID 46228784) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole is COc1ccc(Oc2ccc(-c3cc4ccc(C5=NCCN5)cc4[nH]3)cc2)cc1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole?
The InChIKey is DTQHTIHDODVPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-28-19-8-10-21(11-9-19)29-20-6-4-16(5-7-20)22-14-17-2-3-18(15-23(17)27-22)24-25-12-13-26-24/h2-11,14-15,27H,12-13H2,1H3,(H,25,26).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole has a molecular weight of 383.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-methoxyphenoxy)phenyl]-1H-indole is sourced from PubChem (CID 46228784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).