3-(4-phenyl-1H-imidazol-5-yl)-1H-indole

C17H13N3 — CID 141454791

IUPAC3-(4-phenyl-1H-imidazol-5-yl)-1H-indole
SMILESc1ccc(-c2nc[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13N3/c1-2-6-12(7-3-1)16-17(20-11-19-16)14-10-18-15-9-5-4-8-13(14)15/h1-11,18H,(H,19,20)
InChIKeyWHFRUVVMQNETRI-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.22
Rot. Bonds2

About 3-(4-phenyl-1H-imidazol-5-yl)-1H-indole

3-(4-phenyl-1H-imidazol-5-yl)-1H-indole (PubChem CID 141454791) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(4-phenyl-1H-imidazol-5-yl)-1H-indole.

Molecular Properties

Compound Name3-(4-phenyl-1H-imidazol-5-yl)-1H-indole
PubChem CID141454791
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name3-(4-phenyl-1H-imidazol-5-yl)-1H-indole
SMILESc1ccc(-c2nc[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13N3/c1-2-6-12(7-3-1)16-17(20-11-19-16)14-10-18-15-9-5-4-8-13(14)15/h1-11,18H,(H,19,20)
InChIKeyWHFRUVVMQNETRI-UHFFFAOYSA-N
XLogP4.22
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methane;3-phenyl-1H-indole
CID 167711687
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
3-[2,4-bis(4-fluorophenyl)-1H-imidazol-5-yl]-1H-indole
CID 139758003
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2373893
3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 4207500
3-pyridin-4-yl-1H-indole
CID 159430533
6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione
CID 102126486
N-methyl-3-(4-phenyl-1H-imidazol-5-yl)pyridin-2-amine
CID 50961103
3-(1H-indol-3-yl)aniline
CID 82395331
2-methyl-5-(4-phenyl-1H-imidazol-5-yl)-1H-imidazole
CID 50984124
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-1H-imidazol-5-yl)-1H-indole?
The IUPAC name of 3-(4-phenyl-1H-imidazol-5-yl)-1H-indole (CID 141454791) is 3-(4-phenyl-1H-imidazol-5-yl)-1H-indole.
What is the SMILES notation for 3-(4-phenyl-1H-imidazol-5-yl)-1H-indole?
The canonical SMILES for 3-(4-phenyl-1H-imidazol-5-yl)-1H-indole is c1ccc(-c2nc[nH]c2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-phenyl-1H-imidazol-5-yl)-1H-indole?
The InChIKey is WHFRUVVMQNETRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-2-6-12(7-3-1)16-17(20-11-19-16)14-10-18-15-9-5-4-8-13(14)15/h1-11,18H,(H,19,20).
What are the key properties of 3-(4-phenyl-1H-imidazol-5-yl)-1H-indole?
3-(4-phenyl-1H-imidazol-5-yl)-1H-indole has a molecular weight of 259.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-1H-imidazol-5-yl)-1H-indole is sourced from PubChem (CID 141454791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).