5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine

C15H16N4O2 — CID 107811507

IUPAC5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine
SMILESCOc1cc2nc(-c3cc(N)cc(N)c3)[nH]c2cc1OC
InChIInChI=1S/C15H16N4O2/c1-20-13-6-11-12(7-14(13)21-2)19-15(18-11)8-3-9(16)5-10(17)4-8/h3-7H,16-17H2,1-2H3,(H,18,19)
InChIKeyBGDHLQZXMDCEHH-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.41
Rot. Bonds3

About 5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine

5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine (PubChem CID 107811507) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine
PubChem CID107811507
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine
SMILESCOc1cc2nc(-c3cc(N)cc(N)c3)[nH]c2cc1OC
InChIInChI=1S/C15H16N4O2/c1-20-13-6-11-12(7-14(13)21-2)19-15(18-11)8-3-9(16)5-10(17)4-8/h3-7H,16-17H2,1-2H3,(H,18,19)
InChIKeyBGDHLQZXMDCEHH-UHFFFAOYSA-N
XLogP2.41
TPSA99.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
CID 55115772
2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110534918
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-5-fluoroaniline
CID 61364901
2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532053
2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 61365501
4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine
CID 61366482
2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110533986
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110537311
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969
2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 106688276

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine (CID 107811507) is 5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine is COc1cc2nc(-c3cc(N)cc(N)c3)[nH]c2cc1OC.
What is the InChIKey of 5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine?
The InChIKey is BGDHLQZXMDCEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-20-13-6-11-12(7-14(13)21-2)19-15(18-11)8-3-9(16)5-10(17)4-8/h3-7H,16-17H2,1-2H3,(H,18,19).
What are the key properties of 5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine?
5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine has a molecular weight of 284.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 107811507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).