4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine

C9H8ClFN4 — CID 114488623

IUPAC4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine
SMILESNc1c(-c2cccc(Cl)c2F)ncn1N
InChIInChI=1S/C9H8ClFN4/c10-6-3-1-2-5(7(6)11)8-9(12)15(13)4-14-8/h1-4H,12-13H2
InChIKeyCQECHQRFMUEXAA-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.64
Rot. Bonds1

About 4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine

4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine (PubChem CID 114488623) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine
PubChem CID114488623
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine
SMILESNc1c(-c2cccc(Cl)c2F)ncn1N
InChIInChI=1S/C9H8ClFN4/c10-6-3-1-2-5(7(6)11)8-9(12)15(13)4-14-8/h1-4H,12-13H2
InChIKeyCQECHQRFMUEXAA-UHFFFAOYSA-N
XLogP1.64
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
CID 114488561
3-benzyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
CID 114488563
4-(2,6-difluorophenyl)imidazole-1,5-diamine
CID 62481561
3-(3-chloro-2-fluorophenyl)-4-methyl-1-phenylpyrazol-5-amine
CID 81267627
6-chloro-2-(3-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114488847
4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine
CID 82789468
5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 114488583
5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 114488594
6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine
CID 24771329
3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole
CID 165486429
5-(2-chlorophenyl)-3-ethylimidazol-4-amine
CID 62018842
2-(3-chloro-2-fluorophenyl)-8-methoxyimidazo[1,2-a]pyridin-3-amine
CID 114488854

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine (CID 114488623) is 4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine is Nc1c(-c2cccc(Cl)c2F)ncn1N.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine?
The InChIKey is CQECHQRFMUEXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c10-6-3-1-2-5(7(6)11)8-9(12)15(13)4-14-8/h1-4H,12-13H2.
What are the key properties of 4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine?
4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine has a molecular weight of 226.64 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine is sourced from PubChem (CID 114488623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).