[3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol

C15H16F2N2O — CID 67547846

IUPAC[3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol
SMILESCC1(C)[C@@H](n2cncc2CO)c2ccccc2C1(F)F
InChIInChI=1S/C15H16F2N2O/c1-14(2)13(19-9-18-7-10(19)8-20)11-5-3-4-6-12(11)15(14,16)17/h3-7,9,13,20H,8H2,1-2H3/t13-/m0/s1
InChIKeyHABLNEZZYXGARL-ZDUSSCGKSA-N
MW278.30 g/mol
LogP3.10
Rot. Bonds2

About [3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol

[3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol (PubChem CID 67547846) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is [3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol
PubChem CID67547846
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name[3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol
SMILESCC1(C)[C@@H](n2cncc2CO)c2ccccc2C1(F)F
InChIInChI=1S/C15H16F2N2O/c1-14(2)13(19-9-18-7-10(19)8-20)11-5-3-4-6-12(11)15(14,16)17/h3-7,9,13,20H,8H2,1-2H3/t13-/m0/s1
InChIKeyHABLNEZZYXGARL-ZDUSSCGKSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol (CID 67547846) is [3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol is CC1(C)[C@@H](n2cncc2CO)c2ccccc2C1(F)F.
What is the InChIKey of [3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol?
The InChIKey is HABLNEZZYXGARL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-14(2)13(19-9-18-7-10(19)8-20)11-5-3-4-6-12(11)15(14,16)17/h3-7,9,13,20H,8H2,1-2H3/t13-/m0/s1.
What are the key properties of [3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol?
[3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol has a molecular weight of 278.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-3,3-difluoro-2,2-dimethyl-1H-inden-1-yl]imidazol-4-yl]methanol is sourced from PubChem (CID 67547846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).