6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole

C23H22N6O — CID 50970751

IUPAC6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole
SMILESCOc1ccc2nc(CCn3cnc(-c4ccccc4)c3-c3nccn3C)[nH]c2c1
InChIInChI=1S/C23H22N6O/c1-28-13-11-24-23(28)22-21(16-6-4-3-5-7-16)25-15-29(22)12-10-20-26-18-9-8-17(30-2)14-19(18)27-20/h3-9,11,13-15H,10,12H2,1-2H3,(H,26,27)
InChIKeyJCLMTHIBNJCJDA-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.08
Rot. Bonds6

About 6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole

6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole (PubChem CID 50970751) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole
PubChem CID50970751
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole
SMILESCOc1ccc2nc(CCn3cnc(-c4ccccc4)c3-c3nccn3C)[nH]c2c1
InChIInChI=1S/C23H22N6O/c1-28-13-11-24-23(28)22-21(16-6-4-3-5-7-16)25-15-29(22)12-10-20-26-18-9-8-17(30-2)14-19(18)27-20/h3-9,11,13-15H,10,12H2,1-2H3,(H,26,27)
InChIKeyJCLMTHIBNJCJDA-UHFFFAOYSA-N
XLogP4.08
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine
CID 171339074
6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
CID 135988746
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate
CID 135988871
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 39826453
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
CID 31075696
1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
CID 10202731
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole (CID 50970751) is 6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole is COc1ccc2nc(CCn3cnc(-c4ccccc4)c3-c3nccn3C)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole?
The InChIKey is JCLMTHIBNJCJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-28-13-11-24-23(28)22-21(16-6-4-3-5-7-16)25-15-29(22)12-10-20-26-18-9-8-17(30-2)14-19(18)27-20/h3-9,11,13-15H,10,12H2,1-2H3,(H,26,27).
What are the key properties of 6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole?
6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole has a molecular weight of 398.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole is sourced from PubChem (CID 50970751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).