N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine

C14H15F2N3O — CID 122137909

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine
SMILESFC(F)n1ccnc1CNc1cccc2c1OCCC2
InChIInChI=1S/C14H15F2N3O/c15-14(16)19-7-6-17-12(19)9-18-11-5-1-3-10-4-2-8-20-13(10)11/h1,3,5-7,14,18H,2,4,8-9H2
InChIKeyZTGGRMYLPVMISP-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.22
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine (PubChem CID 122137909) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine
PubChem CID122137909
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine
SMILESFC(F)n1ccnc1CNc1cccc2c1OCCC2
InChIInChI=1S/C14H15F2N3O/c15-14(16)19-7-6-17-12(19)9-18-11-5-1-3-10-4-2-8-20-13(10)11/h1,3,5-7,14,18H,2,4,8-9H2
InChIKeyZTGGRMYLPVMISP-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine (CID 122137909) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine is FC(F)n1ccnc1CNc1cccc2c1OCCC2.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine?
The InChIKey is ZTGGRMYLPVMISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-14(16)19-7-6-17-12(19)9-18-11-5-1-3-10-4-2-8-20-13(10)11/h1,3,5-7,14,18H,2,4,8-9H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,4-dihydro-2H-chromen-8-amine has a molecular weight of 279.29 g/mol, XLogP of 3.22, 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]-3,4-dihydro-2H-chromen-8-amine is sourced from PubChem (CID 122137909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).