[4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone

C21H14N4O2 — CID 136691197

IUPAC[4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1nc(O)c(C=C2C=Nc3ccccc32)[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H14N4O2/c26-19(15-11-23-17-8-4-2-6-14(15)17)20-24-18(21(27)25-20)9-12-10-22-16-7-3-1-5-13(12)16/h1-11,23,27H,(H,24,25)
InChIKeyUOHDJVVMVIJDNE-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.08
Rot. Bonds3

About [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone

[4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone (PubChem CID 136691197) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
PubChem CID136691197
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name[4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1nc(O)c(C=C2C=Nc3ccccc32)[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H14N4O2/c26-19(15-11-23-17-8-4-2-6-14(15)17)20-24-18(21(27)25-20)9-12-10-22-16-7-3-1-5-13(12)16/h1-11,23,27H,(H,24,25)
InChIKeyUOHDJVVMVIJDNE-UHFFFAOYSA-N
XLogP4.08
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol
CID 136895024
2-[(E)-1H-indol-3-yl(indol-3-ylidene)methyl]phenol
CID 155772220
2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol
CID 158788217
3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole
CID 158733846
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole
CID 161408451
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one
CID 135420896
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
[5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
CID 102213214
(Z)-3-hydroxy-1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 101442248
4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one
CID 137035511

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone (CID 136691197) is [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone is O=C(c1nc(O)c(C=C2C=Nc3ccccc32)[nH]1)c1c[nH]c2ccccc12.
What is the InChIKey of [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
The InChIKey is UOHDJVVMVIJDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-19(15-11-23-17-8-4-2-6-14(15)17)20-24-18(21(27)25-20)9-12-10-22-16-7-3-1-5-13(12)16/h1-11,23,27H,(H,24,25).
What are the key properties of [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
[4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone has a molecular weight of 354.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 136691197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).