2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole

C37H29N3O2 — CID 142862773

IUPAC2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1nc(-c2ccc(Oc3ccccc3)cc2)c(Cc2ccc(Oc3ccccc3)cc2)[nH]1
InChIInChI=1S/C37H29N3O2/c1-25-35(32-14-8-9-15-33(32)38-25)37-39-34(24-26-16-20-30(21-17-26)41-28-10-4-2-5-11-28)36(40-37)27-18-22-31(23-19-27)42-29-12-6-3-7-13-29/h2-23,38H,24H2,1H3,(H,39,40)
InChIKeyWLEMLGYERRRKFQ-UHFFFAOYSA-N
MW547.66 g/mol
LogP9.71
Rot. Bonds8

About 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole

2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole (PubChem CID 142862773) has the molecular formula C37H29N3O2 and a molecular weight of 547.66 g/mol. Its IUPAC name is 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole
PubChem CID142862773
Molecular FormulaC37H29N3O2
Molecular Weight547.66 g/mol
Exact Mass547.23
IUPAC Name2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1nc(-c2ccc(Oc3ccccc3)cc2)c(Cc2ccc(Oc3ccccc3)cc2)[nH]1
InChIInChI=1S/C37H29N3O2/c1-25-35(32-14-8-9-15-33(32)38-25)37-39-34(24-26-16-20-30(21-17-26)41-28-10-4-2-5-11-28)36(40-37)27-18-22-31(23-19-27)42-29-12-6-3-7-13-29/h2-23,38H,24H2,1H3,(H,39,40)
InChIKeyWLEMLGYERRRKFQ-UHFFFAOYSA-N
XLogP9.71
TPSA62.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 59.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole with MolForge

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Related Compounds

2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
CID 1946
6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9797585
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-ol
CID 9839919
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-amine
CID 9883372
2-(4-(4-Carbamimidoylphenoxy)phenyl)-1H-benzo[D]imidazole-6-carboximidamide
CID 456167
1-(2,3-Dibenzimidazol-2-ylpropyl)-2-methoxybenzene
CID 2907920
2-(4-Phenoxy-phenyl)-1H-benzoimidazol-5-ylamine
CID 11407345
2-[4-[[6-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-3H-benzimidazole-5-carboximidamide
CID 122193001
4-[6-[[2-(4-aminophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]aniline
CID 3098466
2-(4-butoxyphenyl)-1H-benzimidazole
CID 5176717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole (CID 142862773) is 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole is Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(Oc3ccccc3)cc2)c(Cc2ccc(Oc3ccccc3)cc2)[nH]1.
What is the InChIKey of 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole?
The InChIKey is WLEMLGYERRRKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3O2/c1-25-35(32-14-8-9-15-33(32)38-25)37-39-34(24-26-16-20-30(21-17-26)41-28-10-4-2-5-11-28)36(40-37)27-18-22-31(23-19-27)42-29-12-6-3-7-13-29/h2-23,38H,24H2,1H3,(H,39,40).
What are the key properties of 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole?
2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole has a molecular weight of 547.66 g/mol, XLogP of 9.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(4-phenoxyphenyl)-5-[(4-phenoxyphenyl)methyl]-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 142862773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).