N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine

C9H10F2N4 — CID 79101032

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine
SMILESFC(F)n1ccnc1CNn1cccc1
InChIInChI=1S/C9H10F2N4/c10-9(11)15-6-3-12-8(15)7-13-14-4-1-2-5-14/h1-6,9,13H,7H2
InChIKeyOBCVURDVZMUFCB-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.82
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine (PubChem CID 79101032) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine
PubChem CID79101032
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine
SMILESFC(F)n1ccnc1CNn1cccc1
InChIInChI=1S/C9H10F2N4/c10-9(11)15-6-3-12-8(15)7-13-14-4-1-2-5-14/h1-6,9,13H,7H2
InChIKeyOBCVURDVZMUFCB-UHFFFAOYSA-N
XLogP1.82
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine (CID 79101032) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine is FC(F)n1ccnc1CNn1cccc1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine?
The InChIKey is OBCVURDVZMUFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4/c10-9(11)15-6-3-12-8(15)7-13-14-4-1-2-5-14/h1-6,9,13H,7H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine has a molecular weight of 212.20 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-1-amine is sourced from PubChem (CID 79101032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).