2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole

C22H17N3O — CID 2437616

IUPAC2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H17N3O/c1-26-15-12-10-14(11-13-15)21-20(16-6-2-3-7-17(16)23-21)22-24-18-8-4-5-9-19(18)25-22/h2-13,23H,1H3,(H,24,25)
InChIKeyRNMULFKCEYBHDV-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.39
Rot. Bonds3

About 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole

2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole (PubChem CID 2437616) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
PubChem CID2437616
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H17N3O/c1-26-15-12-10-14(11-13-15)21-20(16-6-2-3-7-17(16)23-21)22-24-18-8-4-5-9-19(18)25-22/h2-13,23H,1H3,(H,24,25)
InChIKeyRNMULFKCEYBHDV-UHFFFAOYSA-N
XLogP5.39
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
CID 168555273
2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746093
methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
CID 71517932
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
CID 168554394

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole (CID 2437616) is 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole is COc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole?
The InChIKey is RNMULFKCEYBHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-26-15-12-10-14(11-13-15)21-20(16-6-2-3-7-17(16)23-21)22-24-18-8-4-5-9-19(18)25-22/h2-13,23H,1H3,(H,24,25).
What are the key properties of 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole?
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole has a molecular weight of 339.40 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole is sourced from PubChem (CID 2437616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).