6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine

C11H9ClF3N3 — CID 106216801

IUPAC6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1C1(C(F)(F)F)CC1
InChIInChI=1S/C11H9ClF3N3/c12-6-1-2-7-8(5-6)18(9(16)17-7)10(3-4-10)11(13,14)15/h1-2,5H,3-4H2,(H2,16,17)
InChIKeyIDOMBFWBNPSQIR-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.32
Rot. Bonds1

About 6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine

6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine (PubChem CID 106216801) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine
PubChem CID106216801
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1C1(C(F)(F)F)CC1
InChIInChI=1S/C11H9ClF3N3/c12-6-1-2-7-8(5-6)18(9(16)17-7)10(3-4-10)11(13,14)15/h1-2,5H,3-4H2,(H2,16,17)
InChIKeyIDOMBFWBNPSQIR-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine (CID 106216801) is 6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine is Nc1nc2ccc(Cl)cc2n1C1(C(F)(F)F)CC1.
What is the InChIKey of 6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine?
The InChIKey is IDOMBFWBNPSQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c12-6-1-2-7-8(5-6)18(9(16)17-7)10(3-4-10)11(13,14)15/h1-2,5H,3-4H2,(H2,16,17).
What are the key properties of 6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine?
6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine has a molecular weight of 275.66 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-2-amine is sourced from PubChem (CID 106216801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).