1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol

C19H25N5O — CID 59162010

IUPAC1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-n3nccn3)cc2)[nH]1
InChIInChI=1S/C19H25N5O/c1-18(2,3)11-15-13-20-17(23-15)12-19(4,25)14-5-7-16(8-6-14)24-21-9-10-22-24/h5-10,13,25H,11-12H2,1-4H3,(H,20,23)
InChIKeyPKLGAGRKFAKNDU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.03
Rot. Bonds5

About 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol

1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol (PubChem CID 59162010) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol
PubChem CID59162010
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-n3nccn3)cc2)[nH]1
InChIInChI=1S/C19H25N5O/c1-18(2,3)11-15-13-20-17(23-15)12-19(4,25)14-5-7-16(8-6-14)24-21-9-10-22-24/h5-10,13,25H,11-12H2,1-4H3,(H,20,23)
InChIKeyPKLGAGRKFAKNDU-UHFFFAOYSA-N
XLogP3.03
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol (CID 59162010) is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol is CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-n3nccn3)cc2)[nH]1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol?
The InChIKey is PKLGAGRKFAKNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-18(2,3)11-15-13-20-17(23-15)12-19(4,25)14-5-7-16(8-6-14)24-21-9-10-22-24/h5-10,13,25H,11-12H2,1-4H3,(H,20,23).
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol?
1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol has a molecular weight of 339.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(triazol-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 59162010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).