5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine

C16H25N3O2 — CID 83003477

IUPAC5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine
SMILESCOc1cc2nc(N)n(CCCCC(C)C)c2cc1OC
InChIInChI=1S/C16H25N3O2/c1-11(2)7-5-6-8-19-13-10-15(21-4)14(20-3)9-12(13)18-16(19)17/h9-11H,5-8H2,1-4H3,(H2,17,18)
InChIKeyRBVVLEUIQBBCTK-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.46
Rot. Bonds7

About 5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine

5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine (PubChem CID 83003477) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine
PubChem CID83003477
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine
SMILESCOc1cc2nc(N)n(CCCCC(C)C)c2cc1OC
InChIInChI=1S/C16H25N3O2/c1-11(2)7-5-6-8-19-13-10-15(21-4)14(20-3)9-12(13)18-16(19)17/h9-11H,5-8H2,1-4H3,(H2,17,18)
InChIKeyRBVVLEUIQBBCTK-UHFFFAOYSA-N
XLogP3.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 83003441
1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 82024968
5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 83003239
N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine
CID 82359675
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine
CID 82024996
5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 63924917
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63597555

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine?
The IUPAC name of 5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine (CID 83003477) is 5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine.
What is the SMILES notation for 5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine?
The canonical SMILES for 5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine is COc1cc2nc(N)n(CCCCC(C)C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine?
The InChIKey is RBVVLEUIQBBCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)7-5-6-8-19-13-10-15(21-4)14(20-3)9-12(13)18-16(19)17/h9-11H,5-8H2,1-4H3,(H2,17,18).
What are the key properties of 5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine?
5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine is sourced from PubChem (CID 83003477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).