1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole

C22H18N4 — CID 90689297

IUPAC1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole
SMILESCn1c(-c2ccccc2-c2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C22H18N4/c1-25-19-13-7-5-11-17(19)23-21(25)15-9-3-4-10-16(15)22-24-18-12-6-8-14-20(18)26(22)2/h3-14H,1-2H3
InChIKeyITFTUDSKUPJCID-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.79
Rot. Bonds2

About 1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole

1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole (PubChem CID 90689297) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole
PubChem CID90689297
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole
SMILESCn1c(-c2ccccc2-c2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C22H18N4/c1-25-19-13-7-5-11-17(19)23-21(25)15-9-3-4-10-16(15)22-24-18-12-6-8-14-20(18)26(22)2/h3-14H,1-2H3
InChIKeyITFTUDSKUPJCID-UHFFFAOYSA-N
XLogP4.79
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole?
The IUPAC name of 1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole (CID 90689297) is 1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole is Cn1c(-c2ccccc2-c2nc3ccccc3n2C)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole?
The InChIKey is ITFTUDSKUPJCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-25-19-13-7-5-11-17(19)23-21(25)15-9-3-4-10-16(15)22-24-18-12-6-8-14-20(18)26(22)2/h3-14H,1-2H3.
What are the key properties of 1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole?
1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole has a molecular weight of 338.41 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(1-methylbenzimidazol-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 90689297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).