N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine

C11H10F3N3 — CID 106214801

IUPACN-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)C1(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)10(5-6-10)17-9-15-7-3-1-2-4-8(7)16-9/h1-4H,5-6H2,(H2,15,16,17)
InChIKeyNWVVMGUZOQLGBV-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.07
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine

N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine (PubChem CID 106214801) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine
PubChem CID106214801
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)C1(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)10(5-6-10)17-9-15-7-3-1-2-4-8(7)16-9/h1-4H,5-6H2,(H2,15,16,17)
InChIKeyNWVVMGUZOQLGBV-UHFFFAOYSA-N
XLogP3.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384228
[1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol
CID 55129797
N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058649
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
2-(1-fluorocyclopropyl)-1H-benzimidazole
CID 67492250
N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 15602783

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine (CID 106214801) is N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine is FC(F)(F)C1(Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine?
The InChIKey is NWVVMGUZOQLGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)10(5-6-10)17-9-15-7-3-1-2-4-8(7)16-9/h1-4H,5-6H2,(H2,15,16,17).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine?
N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine has a molecular weight of 241.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 106214801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).