[1-(difluoromethyl)imidazol-4-yl]methanamine

C5H7F2N3 — CID 106718014

IUPAC[1-(difluoromethyl)imidazol-4-yl]methanamine
SMILESNCc1cn(C(F)F)cn1
InChIInChI=1S/C5H7F2N3/c6-5(7)10-2-4(1-8)9-3-10/h2-3,5H,1,8H2
InChIKeyNXTSYWPTIOCXCY-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.74
Rot. Bonds2

About [1-(difluoromethyl)imidazol-4-yl]methanamine

[1-(difluoromethyl)imidazol-4-yl]methanamine (PubChem CID 106718014) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is [1-(difluoromethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethyl)imidazol-4-yl]methanamine
PubChem CID106718014
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name[1-(difluoromethyl)imidazol-4-yl]methanamine
SMILESNCc1cn(C(F)F)cn1
InChIInChI=1S/C5H7F2N3/c6-5(7)10-2-4(1-8)9-3-10/h2-3,5H,1,8H2
InChIKeyNXTSYWPTIOCXCY-UHFFFAOYSA-N
XLogP0.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(difluoromethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719465
2-[1-(3-methylbutan-2-yl)imidazol-4-yl]ethanamine
CID 67019331
[1-(difluoromethyl)triazol-4-yl]methanamine
CID 154731374
[1-(2,2-difluoropropyl)imidazol-4-yl]methanamine
CID 164654588
[1-(2-fluorophenyl)imidazol-4-yl]methanamine
CID 82468834
(1-butylimidazol-4-yl)methanamine
CID 82467842
3-[4-(aminomethyl)imidazol-1-yl]propan-1-ol
CID 106717943
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
CID 106717912
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
(1-benzylimidazol-4-yl)methanamine
CID 82281097
[1-(4-bromophenyl)imidazol-4-yl]methanamine
CID 82481393
[1-(2,5-difluorophenyl)imidazol-4-yl]methanamine
CID 82507740

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(difluoromethyl)imidazol-4-yl]methanamine (CID 106718014) is [1-(difluoromethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(difluoromethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(difluoromethyl)imidazol-4-yl]methanamine is NCc1cn(C(F)F)cn1.
What is the InChIKey of [1-(difluoromethyl)imidazol-4-yl]methanamine?
The InChIKey is NXTSYWPTIOCXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c6-5(7)10-2-4(1-8)9-3-10/h2-3,5H,1,8H2.
What are the key properties of [1-(difluoromethyl)imidazol-4-yl]methanamine?
[1-(difluoromethyl)imidazol-4-yl]methanamine has a molecular weight of 147.13 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 106718014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).