5,6-dimethoxy-1-phenylbenzimidazol-2-amine

C15H15N3O2 — CID 83008746

IUPAC5,6-dimethoxy-1-phenylbenzimidazol-2-amine
SMILESCOc1cc2nc(N)n(-c3ccccc3)c2cc1OC
InChIInChI=1S/C15H15N3O2/c1-19-13-8-11-12(9-14(13)20-2)18(15(16)17-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,16,17)
InChIKeyXYNBPZCMXVERIC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.62
Rot. Bonds3

About 5,6-dimethoxy-1-phenylbenzimidazol-2-amine

5,6-dimethoxy-1-phenylbenzimidazol-2-amine (PubChem CID 83008746) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5,6-dimethoxy-1-phenylbenzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-1-phenylbenzimidazol-2-amine
PubChem CID83008746
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5,6-dimethoxy-1-phenylbenzimidazol-2-amine
SMILESCOc1cc2nc(N)n(-c3ccccc3)c2cc1OC
InChIInChI=1S/C15H15N3O2/c1-19-13-8-11-12(9-14(13)20-2)18(15(16)17-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,16,17)
InChIKeyXYNBPZCMXVERIC-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003060
1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003226
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160
1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 43661963
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
1-(2,5-dimethoxyphenyl)benzimidazol-2-amine
CID 43148885
5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 82859589

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-phenylbenzimidazol-2-amine?
The IUPAC name of 5,6-dimethoxy-1-phenylbenzimidazol-2-amine (CID 83008746) is 5,6-dimethoxy-1-phenylbenzimidazol-2-amine.
What is the SMILES notation for 5,6-dimethoxy-1-phenylbenzimidazol-2-amine?
The canonical SMILES for 5,6-dimethoxy-1-phenylbenzimidazol-2-amine is COc1cc2nc(N)n(-c3ccccc3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1-phenylbenzimidazol-2-amine?
The InChIKey is XYNBPZCMXVERIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-19-13-8-11-12(9-14(13)20-2)18(15(16)17-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,16,17).
What are the key properties of 5,6-dimethoxy-1-phenylbenzimidazol-2-amine?
5,6-dimethoxy-1-phenylbenzimidazol-2-amine has a molecular weight of 269.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-phenylbenzimidazol-2-amine is sourced from PubChem (CID 83008746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).