2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine

C14H11F2N3O — CID 63692783

IUPAC2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3cccc(OC(F)F)c3)nc12
InChIInChI=1S/C14H11F2N3O/c15-14(16)20-9-4-1-3-8(7-9)13-18-11-6-2-5-10(17)12(11)19-13/h1-7,14H,17H2,(H,18,19)
InChIKeyKXCZIDGYDGAFKJ-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.41
Rot. Bonds3

About 2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine

2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine (PubChem CID 63692783) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine
PubChem CID63692783
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3cccc(OC(F)F)c3)nc12
InChIInChI=1S/C14H11F2N3O/c15-14(16)20-9-4-1-3-8(7-9)13-18-11-6-2-5-10(17)12(11)19-13/h1-7,14H,17H2,(H,18,19)
InChIKeyKXCZIDGYDGAFKJ-UHFFFAOYSA-N
XLogP3.41
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine (CID 63692783) is 2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine is Nc1cccc2[nH]c(-c3cccc(OC(F)F)c3)nc12.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine?
The InChIKey is KXCZIDGYDGAFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c15-14(16)20-9-4-1-3-8(7-9)13-18-11-6-2-5-10(17)12(11)19-13/h1-7,14H,17H2,(H,18,19).
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine?
2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine has a molecular weight of 275.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-1H-benzimidazol-4-amine is sourced from PubChem (CID 63692783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).