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

C8H13ClN2O — CID 2735662

IUPAC(2-butyl-4-chloro-1H-imidazol-5-yl)methanol
SMILESCCCCc1nc(Cl)c(CO)[nH]1
InChIInChI=1S/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11)
InChIKeyDXSZKDOOHOBZMT-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.90
Rot. Bonds4

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

(2-butyl-4-chloro-1H-imidazol-5-yl)methanol (PubChem CID 2735662) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is (2-butyl-4-chloro-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(2-butyl-4-chloro-1H-imidazol-5-yl)methanol
PubChem CID2735662
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name(2-butyl-4-chloro-1H-imidazol-5-yl)methanol
SMILESCCCCc1nc(Cl)c(CO)[nH]1
InChIInChI=1S/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11)
InChIKeyDXSZKDOOHOBZMT-UHFFFAOYSA-N
XLogP1.90
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-4-chloro-1H-imidazol-5-yl)methanol?
The IUPAC name of (2-butyl-4-chloro-1H-imidazol-5-yl)methanol (CID 2735662) is (2-butyl-4-chloro-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (2-butyl-4-chloro-1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-butyl-4-chloro-1H-imidazol-5-yl)methanol is CCCCc1nc(Cl)c(CO)[nH]1.
What is the InChIKey of (2-butyl-4-chloro-1H-imidazol-5-yl)methanol?
The InChIKey is DXSZKDOOHOBZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11).
What are the key properties of (2-butyl-4-chloro-1H-imidazol-5-yl)methanol?
(2-butyl-4-chloro-1H-imidazol-5-yl)methanol has a molecular weight of 188.66 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-4-chloro-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 2735662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).