4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine

C6H9F2N3 — CID 84764318

IUPAC4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine
SMILESCc1[nH]c(N)nc1C(C)(F)F
InChIInChI=1S/C6H9F2N3/c1-3-4(6(2,7)8)11-5(9)10-3/h1-2H3,(H3,9,10,11)
InChIKeyBJPLPDODZKUJAP-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.41
Rot. Bonds1

About 4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine

4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine (PubChem CID 84764318) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine
PubChem CID84764318
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine
SMILESCc1[nH]c(N)nc1C(C)(F)F
InChIInChI=1S/C6H9F2N3/c1-3-4(6(2,7)8)11-5(9)10-3/h1-2H3,(H3,9,10,11)
InChIKeyBJPLPDODZKUJAP-UHFFFAOYSA-N
XLogP1.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine?
The IUPAC name of 4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine (CID 84764318) is 4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine.
What is the SMILES notation for 4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine?
The canonical SMILES for 4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine is Cc1[nH]c(N)nc1C(C)(F)F.
What is the InChIKey of 4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine?
The InChIKey is BJPLPDODZKUJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-3-4(6(2,7)8)11-5(9)10-3/h1-2H3,(H3,9,10,11).
What are the key properties of 4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine?
4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine has a molecular weight of 161.16 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 84764318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).