1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol

C8H13F2N3O — CID 103731609

IUPAC1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol
SMILESCc1ncc(CNCC(O)C(F)F)[nH]1
InChIInChI=1S/C8H13F2N3O/c1-5-12-3-6(13-5)2-11-4-7(14)8(9)10/h3,7-8,11,14H,2,4H2,1H3,(H,12,13)
InChIKeyQPOBHBFIKBHDIQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.43
Rot. Bonds5

About 1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol

1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol (PubChem CID 103731609) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol
PubChem CID103731609
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol
SMILESCc1ncc(CNCC(O)C(F)F)[nH]1
InChIInChI=1S/C8H13F2N3O/c1-5-12-3-6(13-5)2-11-4-7(14)8(9)10/h3,7-8,11,14H,2,4H2,1H3,(H,12,13)
InChIKeyQPOBHBFIKBHDIQ-UHFFFAOYSA-N
XLogP0.43
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-1H-imidazol-2-yl)methanol hydrochloride
CID 53421706
2-(4-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 68798957
2-[2-hydroxyethyl(1H-imidazol-5-ylmethyl)amino]ethanol
CID 119041987
(2S)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol
CID 137957329
(2-(Trifluoromethyl)-1H-imidazol-5-yl)methanol
CID 596822
(5-methyl-1H-imidazol-2-yl)methanol
CID 19735771
(5-(Trifluoromethyl)-1H-imidazol-2-yl)methanol
CID 53650965
N-[(2-ethyl-1H-imidazol-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 57034232
(2-(2,2,2-Trifluoroethyl)-1H-imidazol-5-yl)methanol
CID 63108229
5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazol-2-amine
CID 68593433
(2-(Trifluoromethyl)-1H-imidazol-5-yl)methanamine
CID 84013627
1-[5-(1,1-difluorobut-3-enyl)-1H-imidazol-2-yl]propan-1-ol
CID 123305415

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol (CID 103731609) is 1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol is Cc1ncc(CNCC(O)C(F)F)[nH]1.
What is the InChIKey of 1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol?
The InChIKey is QPOBHBFIKBHDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-5-12-3-6(13-5)2-11-4-7(14)8(9)10/h3,7-8,11,14H,2,4H2,1H3,(H,12,13).
What are the key properties of 1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol?
1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol has a molecular weight of 205.21 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103731609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).