2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole

C15H12N2O3 — CID 146024410

IUPAC2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc2c1OCO2
InChIInChI=1S/C15H12N2O3/c1-18-12-6-9(7-13-14(12)20-8-19-13)15-16-10-4-2-3-5-11(10)17-15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyVZJWLELTWZLHME-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.97
Rot. Bonds2

About 2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole

2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole (PubChem CID 146024410) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
PubChem CID146024410
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc2c1OCO2
InChIInChI=1S/C15H12N2O3/c1-18-12-6-9(7-13-14(12)20-8-19-13)15-16-10-4-2-3-5-11(10)17-15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyVZJWLELTWZLHME-UHFFFAOYSA-N
XLogP2.97
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol
CID 136663190
2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
CID 1333027
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenyl] acetate
CID 168554773
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
CID 168553533
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
CID 168554741
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole?
The IUPAC name of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole (CID 146024410) is 2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole?
The canonical SMILES for 2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole is COc1cc(-c2nc3ccccc3[nH]2)cc2c1OCO2.
What is the InChIKey of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole?
The InChIKey is VZJWLELTWZLHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-18-12-6-9(7-13-14(12)20-8-19-13)15-16-10-4-2-3-5-11(10)17-15/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole?
2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole has a molecular weight of 268.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 146024410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).