(4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol

C7H11ClN2O — CID 15338147

IUPAC(4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol
SMILESCC(C)c1nc(Cl)c(CO)[nH]1
InChIInChI=1S/C7H11ClN2O/c1-4(2)7-9-5(3-11)6(8)10-7/h4,11H,3H2,1-2H3,(H,9,10)
InChIKeyMFRQUEYFAKXLBZ-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.68
Rot. Bonds2

About (4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol

(4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol (PubChem CID 15338147) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is (4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol
PubChem CID15338147
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name(4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol
SMILESCC(C)c1nc(Cl)c(CO)[nH]1
InChIInChI=1S/C7H11ClN2O/c1-4(2)7-9-5(3-11)6(8)10-7/h4,11H,3H2,1-2H3,(H,9,10)
InChIKeyMFRQUEYFAKXLBZ-UHFFFAOYSA-N
XLogP1.68
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol?
The IUPAC name of (4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol (CID 15338147) is (4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol is CC(C)c1nc(Cl)c(CO)[nH]1.
What is the InChIKey of (4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol?
The InChIKey is MFRQUEYFAKXLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-4(2)7-9-5(3-11)6(8)10-7/h4,11H,3H2,1-2H3,(H,9,10).
What are the key properties of (4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol?
(4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol has a molecular weight of 174.63 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-propan-2-yl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 15338147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).