2-(difluoromethyl)-1H-benzimidazol-4-amine

C8H7F2N3 — CID 45077990

IUPAC2-(difluoromethyl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(C(F)F)nc12
InChIInChI=1S/C8H7F2N3/c9-7(10)8-12-5-3-1-2-4(11)6(5)13-8/h1-3,7H,11H2,(H,12,13)
InChIKeySSQQCXRTSAGQLB-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.08
Rot. Bonds1

About 2-(difluoromethyl)-1H-benzimidazol-4-amine

2-(difluoromethyl)-1H-benzimidazol-4-amine (PubChem CID 45077990) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-1H-benzimidazol-4-amine
PubChem CID45077990
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name2-(difluoromethyl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(C(F)F)nc12
InChIInChI=1S/C8H7F2N3/c9-7(10)8-12-5-3-1-2-4(11)6(5)13-8/h1-3,7H,11H2,(H,12,13)
InChIKeySSQQCXRTSAGQLB-UHFFFAOYSA-N
XLogP2.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(difluoromethyl)-1H-benzimidazol-4-amine (CID 45077990) is 2-(difluoromethyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(difluoromethyl)-1H-benzimidazol-4-amine is Nc1cccc2[nH]c(C(F)F)nc12.
What is the InChIKey of 2-(difluoromethyl)-1H-benzimidazol-4-amine?
The InChIKey is SSQQCXRTSAGQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c9-7(10)8-12-5-3-1-2-4(11)6(5)13-8/h1-3,7H,11H2,(H,12,13).
What are the key properties of 2-(difluoromethyl)-1H-benzimidazol-4-amine?
2-(difluoromethyl)-1H-benzimidazol-4-amine has a molecular weight of 183.16 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 45077990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).