[5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol

C23H19N3O2 — CID 50962501

IUPAC[5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2c(-c3ccccc3)ncn2Cc2cccc3[nH]ccc23)o1
InChIInChI=1S/C23H19N3O2/c27-14-18-9-10-21(28-18)23-22(16-5-2-1-3-6-16)25-15-26(23)13-17-7-4-8-20-19(17)11-12-24-20/h1-12,15,24,27H,13-14H2
InChIKeyDNQYWJWLGQIUKN-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.83
Rot. Bonds5

About [5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol

[5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol (PubChem CID 50962501) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is [5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol
PubChem CID50962501
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name[5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2c(-c3ccccc3)ncn2Cc2cccc3[nH]ccc23)o1
InChIInChI=1S/C23H19N3O2/c27-14-18-9-10-21(28-18)23-22(16-5-2-1-3-6-16)25-15-26(23)13-17-7-4-8-20-19(17)11-12-24-20/h1-12,15,24,27H,13-14H2
InChIKeyDNQYWJWLGQIUKN-UHFFFAOYSA-N
XLogP4.83
TPSA66.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol?
The IUPAC name of [5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol (CID 50962501) is [5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol is OCc1ccc(-c2c(-c3ccccc3)ncn2Cc2cccc3[nH]ccc23)o1.
What is the InChIKey of [5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol?
The InChIKey is DNQYWJWLGQIUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-14-18-9-10-21(28-18)23-22(16-5-2-1-3-6-16)25-15-26(23)13-17-7-4-8-20-19(17)11-12-24-20/h1-12,15,24,27H,13-14H2.
What are the key properties of [5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol?
[5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol has a molecular weight of 369.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol is sourced from PubChem (CID 50962501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).