3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine

C11H12F2N4 — CID 62532331

IUPAC3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1NCCn1ccnc1
InChIInChI=1S/C11H12F2N4/c12-8-1-2-9(14)11(10(8)13)16-4-6-17-5-3-15-7-17/h1-3,5,7,16H,4,6,14H2
InChIKeyXZZSVPSSGZUVQX-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.86
Rot. Bonds4

About 3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine

3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine (PubChem CID 62532331) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
PubChem CID62532331
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1NCCn1ccnc1
InChIInChI=1S/C11H12F2N4/c12-8-1-2-9(14)11(10(8)13)16-4-6-17-5-3-15-7-17/h1-3,5,7,16H,4,6,14H2
InChIKeyXZZSVPSSGZUVQX-UHFFFAOYSA-N
XLogP1.86
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325720
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
3-fluoro-2-(2-imidazol-1-ylethylamino)benzoic acid
CID 62648859
3-fluoro-N-(2-imidazol-1-ylethyl)aniline
CID 62564347
4-bromo-1-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61324281
4-(2-imidazol-1-ylethylamino)benzenecarbothioamide
CID 54951452
2-chloro-1-N-(2-imidazol-1-ylethyl)benzene-1,4-diamine
CID 61324074
3,4-difluoro-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242145
4-N-(3-imidazol-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 28994097
3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
CID 102983953
4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
CID 62681162

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine (CID 62532331) is 3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine is Nc1ccc(F)c(F)c1NCCn1ccnc1.
What is the InChIKey of 3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine?
The InChIKey is XZZSVPSSGZUVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c12-8-1-2-9(14)11(10(8)13)16-4-6-17-5-3-15-7-17/h1-3,5,7,16H,4,6,14H2.
What are the key properties of 3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine?
3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine has a molecular weight of 238.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 62532331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).