2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole

C21H18N2O2 — CID 168554009

IUPAC2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
SMILESCOc1ccc(-c2ccccc2-c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C21H18N2O2/c1-24-19-12-11-14(13-20(19)25-2)15-7-3-4-8-16(15)21-22-17-9-5-6-10-18(17)23-21/h3-13H,1-2H3,(H,22,23)
InChIKeyCKIXYCFRSQLQPV-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.91
Rot. Bonds4

About 2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole

2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole (PubChem CID 168554009) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
PubChem CID168554009
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
SMILESCOc1ccc(-c2ccccc2-c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C21H18N2O2/c1-24-19-12-11-14(13-20(19)25-2)15-7-3-4-8-16(15)21-22-17-9-5-6-10-18(17)23-21/h3-13H,1-2H3,(H,22,23)
InChIKeyCKIXYCFRSQLQPV-UHFFFAOYSA-N
XLogP4.91
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2343559
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
CID 141037146
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
CID 168553533
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
4-(1H-benzimidazol-2-yl)-2-chloro-5-methoxyaniline
CID 43614498
2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole
CID 154048615
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole (CID 168554009) is 2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole is COc1ccc(-c2ccccc2-c2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole?
The InChIKey is CKIXYCFRSQLQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-19-12-11-14(13-20(19)25-2)15-7-3-4-8-16(15)21-22-17-9-5-6-10-18(17)23-21/h3-13H,1-2H3,(H,22,23).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole?
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole has a molecular weight of 330.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168554009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).