3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine

C10H11FN4 — CID 64547692

IUPAC3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
SMILESNc1c(F)cccc1NCc1ncc[nH]1
InChIInChI=1S/C10H11FN4/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-5,15H,6,12H2,(H,13,14)
InChIKeyJTRWNUMUEFOWKN-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.74
Rot. Bonds3

About 3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine

3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine (PubChem CID 64547692) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
PubChem CID64547692
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
SMILESNc1c(F)cccc1NCc1ncc[nH]1
InChIInChI=1S/C10H11FN4/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-5,15H,6,12H2,(H,13,14)
InChIKeyJTRWNUMUEFOWKN-UHFFFAOYSA-N
XLogP1.74
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 113392707
3-fluoro-N-(1H-imidazol-2-ylmethyl)-2-nitroaniline
CID 64530894
3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 171673482
4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 66112517
4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine
CID 64548272
3-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393336
N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 64530697
3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 62997267
4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
CID 62809674
1-N-(2,2-dimethylpropyl)-3-fluorobenzene-1,2-diamine
CID 61167849
2-N-(1H-imidazol-2-ylmethyl)-1,3-benzoxazole-2,4-diamine
CID 79893532
2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide
CID 71918640

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine (CID 64547692) is 3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine is Nc1c(F)cccc1NCc1ncc[nH]1.
What is the InChIKey of 3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is JTRWNUMUEFOWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-5,15H,6,12H2,(H,13,14).
What are the key properties of 3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine?
3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 206.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 64547692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).