N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine

C14H20F2N4 — CID 66404592

IUPACN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccn(Cc2nccn2C(F)F)c1
InChIInChI=1S/C14H20F2N4/c1-14(2,3)18-8-11-4-6-19(9-11)10-12-17-5-7-20(12)13(15)16/h4-7,9,13,18H,8,10H2,1-3H3
InChIKeyUEMQXMNRYOPOMP-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.02
Rot. Bonds5

About N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66404592) has the molecular formula C14H20F2N4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID66404592
Molecular FormulaC14H20F2N4
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccn(Cc2nccn2C(F)F)c1
InChIInChI=1S/C14H20F2N4/c1-14(2,3)18-8-11-4-6-19(9-11)10-12-17-5-7-20(12)13(15)16/h4-7,9,13,18H,8,10H2,1-3H3
InChIKeyUEMQXMNRYOPOMP-UHFFFAOYSA-N
XLogP3.02
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine (CID 66404592) is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccn(Cc2nccn2C(F)F)c1.
What is the InChIKey of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is UEMQXMNRYOPOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4/c1-14(2,3)18-8-11-4-6-19(9-11)10-12-17-5-7-20(12)13(15)16/h4-7,9,13,18H,8,10H2,1-3H3.
What are the key properties of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 282.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66404592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).