2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole

C20H17N3O2 — CID 102212973

IUPAC2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2-c2ccc(OC)nc2)cc1
InChIInChI=1S/C20H17N3O2/c1-24-16-10-7-14(8-11-16)20-22-17-5-3-4-6-18(17)23(20)15-9-12-19(25-2)21-13-15/h3-13H,1-2H3
InChIKeyBHQUMXOBDAZWTB-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.10
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole

2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole (PubChem CID 102212973) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole
PubChem CID102212973
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2-c2ccc(OC)nc2)cc1
InChIInChI=1S/C20H17N3O2/c1-24-16-10-7-14(8-11-16)20-22-17-5-3-4-6-18(17)23(20)15-9-12-19(25-2)21-13-15/h3-13H,1-2H3
InChIKeyBHQUMXOBDAZWTB-UHFFFAOYSA-N
XLogP4.10
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
1-(4-methoxyphenyl)-2-thiophen-3-ylbenzimidazole
CID 57424026
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole (CID 102212973) is 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole is COc1ccc(-c2nc3ccccc3n2-c2ccc(OC)nc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole?
The InChIKey is BHQUMXOBDAZWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-16-10-7-14(8-11-16)20-22-17-5-3-4-6-18(17)23(20)15-9-12-19(25-2)21-13-15/h3-13H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole?
2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole has a molecular weight of 331.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)benzimidazole is sourced from PubChem (CID 102212973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).