N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine

C15H12F2N4 — CID 3966393

IUPACN-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
SMILESCC(=NNc1nc2ccccc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C15H12F2N4/c1-9(14-10(16)5-4-6-11(14)17)20-21-15-18-12-7-2-3-8-13(12)19-15/h2-8H,1H3,(H2,18,19,21)
InChIKeyRADOJCZTRRPZLN-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.68
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine

N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine (PubChem CID 3966393) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
PubChem CID3966393
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
SMILESCC(=NNc1nc2ccccc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C15H12F2N4/c1-9(14-10(16)5-4-6-11(14)17)20-21-15-18-12-7-2-3-8-13(12)19-15/h2-8H,1H3,(H2,18,19,21)
InChIKeyRADOJCZTRRPZLN-UHFFFAOYSA-N
XLogP3.68
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine
CID 135558240
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 6085973
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-[(Z)-1-pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine
CID 5470579
N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
CID 4051864
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 7912538
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072
(Z)-N-(1H-benzimidazol-2-yl)-3-(2-fluorophenyl)but-2-enamide
CID 60575761
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid
CID 10778432
N-[3-[(E)-N-(1H-benzimidazol-2-ylamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]butanamide
CID 135730875
N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine
CID 6529655

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine (CID 3966393) is N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine is CC(=NNc1nc2ccccc2[nH]1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is RADOJCZTRRPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c1-9(14-10(16)5-4-6-11(14)17)20-21-15-18-12-7-2-3-8-13(12)19-15/h2-8H,1H3,(H2,18,19,21).
What are the key properties of N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine?
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 286.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 3966393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).