4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine

C10H9F3N4 — CID 62481357

IUPAC4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
SMILESNc1c(-c2ccc(C(F)(F)F)cc2)ncn1N
InChIInChI=1S/C10H9F3N4/c11-10(12,13)7-3-1-6(2-4-7)8-9(14)17(15)5-16-8/h1-5H,14-15H2
InChIKeyNKQSQUBCQPCITI-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.86
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine

4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine (PubChem CID 62481357) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
PubChem CID62481357
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
SMILESNc1c(-c2ccc(C(F)(F)F)cc2)ncn1N
InChIInChI=1S/C10H9F3N4/c11-10(12,13)7-3-1-6(2-4-7)8-9(14)17(15)5-16-8/h1-5H,14-15H2
InChIKeyNKQSQUBCQPCITI-UHFFFAOYSA-N
XLogP1.86
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine (CID 62481357) is 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine is Nc1c(-c2ccc(C(F)(F)F)cc2)ncn1N.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine?
The InChIKey is NKQSQUBCQPCITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c11-10(12,13)7-3-1-6(2-4-7)8-9(14)17(15)5-16-8/h1-5H,14-15H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine?
4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine has a molecular weight of 242.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine is sourced from PubChem (CID 62481357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).