5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine

C13H14F3N3O2 — CID 106216828

IUPAC5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine
SMILESCOc1cc2nc(N)n(C3(C(F)(F)F)CC3)c2cc1OC
InChIInChI=1S/C13H14F3N3O2/c1-20-9-5-7-8(6-10(9)21-2)19(11(17)18-7)12(3-4-12)13(14,15)16/h5-6H,3-4H2,1-2H3,(H2,17,18)
InChIKeyOBYQZJLSEUGVAF-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.69
Rot. Bonds3

About 5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine

5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine (PubChem CID 106216828) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine
PubChem CID106216828
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine
SMILESCOc1cc2nc(N)n(C3(C(F)(F)F)CC3)c2cc1OC
InChIInChI=1S/C13H14F3N3O2/c1-20-9-5-7-8(6-10(9)21-2)19(11(17)18-7)12(3-4-12)13(14,15)16/h5-6H,3-4H2,1-2H3,(H2,17,18)
InChIKeyOBYQZJLSEUGVAF-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine
CID 106216801
5,6-dimethoxy-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 83003474
2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine
CID 106216601
5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 83003441
5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 83003239
5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine
CID 83003477
3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridin-2-amine
CID 106216819
1-(2-fluorophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003060
5,6-dimethoxy-1-phenylbenzimidazol-2-amine
CID 83008746
5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine
CID 83003459
2-(1-chloroethyl)-5-fluoro-6-methyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216892
1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003226

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine?
The IUPAC name of 5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine (CID 106216828) is 5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine.
What is the SMILES notation for 5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine?
The canonical SMILES for 5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine is COc1cc2nc(N)n(C3(C(F)(F)F)CC3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine?
The InChIKey is OBYQZJLSEUGVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-20-9-5-7-8(6-10(9)21-2)19(11(17)18-7)12(3-4-12)13(14,15)16/h5-6H,3-4H2,1-2H3,(H2,17,18).
What are the key properties of 5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine?
5,6-dimethoxy-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine has a molecular weight of 301.27 g/mol, XLogP of 2.69, 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-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine is sourced from PubChem (CID 106216828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).