4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol

C15H23ClN4O — CID 154568365

IUPAC4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol
SMILESCCCCc1nc(-c2nccn2CCC(C)(C)O)c(Cl)[nH]1
InChIInChI=1S/C15H23ClN4O/c1-4-5-6-11-18-12(13(16)19-11)14-17-8-10-20(14)9-7-15(2,3)21/h8,10,21H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyBQKWMBYTIVSPLT-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.43
Rot. Bonds7

About 4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol

4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol (PubChem CID 154568365) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol
PubChem CID154568365
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol
SMILESCCCCc1nc(-c2nccn2CCC(C)(C)O)c(Cl)[nH]1
InChIInChI=1S/C15H23ClN4O/c1-4-5-6-11-18-12(13(16)19-11)14-17-8-10-20(14)9-7-15(2,3)21/h8,10,21H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyBQKWMBYTIVSPLT-UHFFFAOYSA-N
XLogP3.43
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol (CID 154568365) is 4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol is CCCCc1nc(-c2nccn2CCC(C)(C)O)c(Cl)[nH]1.
What is the InChIKey of 4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol?
The InChIKey is BQKWMBYTIVSPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-4-5-6-11-18-12(13(16)19-11)14-17-8-10-20(14)9-7-15(2,3)21/h8,10,21H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol?
4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 310.83 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-butyl-5-chloro-1H-imidazol-4-yl)imidazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 154568365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).