2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine

C12H13F2N3 — CID 113304084

IUPAC2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C1CC1)n2CC(F)F
InChIInChI=1S/C12H13F2N3/c13-11(14)6-17-10-4-3-8(15)5-9(10)16-12(17)7-1-2-7/h3-5,7,11H,1-2,6,15H2
InChIKeyARNHZDQICFXUSK-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.76
Rot. Bonds3

About 2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine

2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine (PubChem CID 113304084) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
PubChem CID113304084
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C1CC1)n2CC(F)F
InChIInChI=1S/C12H13F2N3/c13-11(14)6-17-10-4-3-8(15)5-9(10)16-12(17)7-1-2-7/h3-5,7,11H,1-2,6,15H2
InChIKeyARNHZDQICFXUSK-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopropyl-1-(2-methylsulfanylethyl)benzimidazol-5-amine
CID 63958490
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
CID 104765893
2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507722
3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
CID 62507866
2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499135
2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830686
4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
CID 62508536
2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine
CID 62507018
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate
CID 83215207

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine (CID 113304084) is 2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine is Nc1ccc2c(c1)nc(C1CC1)n2CC(F)F.
What is the InChIKey of 2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine?
The InChIKey is ARNHZDQICFXUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c13-11(14)6-17-10-4-3-8(15)5-9(10)16-12(17)7-1-2-7/h3-5,7,11H,1-2,6,15H2.
What are the key properties of 2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine?
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine has a molecular weight of 237.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine is sourced from PubChem (CID 113304084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).