4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol

C10H9ClN2O — CID 135671338

IUPAC4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol
SMILESCc1[nH]c(-c2ccc(O)cc2)nc1Cl
InChIInChI=1S/C10H9ClN2O/c1-6-9(11)13-10(12-6)7-2-4-8(14)5-3-7/h2-5,14H,1H3,(H,12,13)
InChIKeyZKFUPWYPCNEQOR-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.74
Rot. Bonds1

About 4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol

4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol (PubChem CID 135671338) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol
PubChem CID135671338
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol
SMILESCc1[nH]c(-c2ccc(O)cc2)nc1Cl
InChIInChI=1S/C10H9ClN2O/c1-6-9(11)13-10(12-6)7-2-4-8(14)5-3-7/h2-5,14H,1H3,(H,12,13)
InChIKeyZKFUPWYPCNEQOR-UHFFFAOYSA-N
XLogP2.74
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol?
The IUPAC name of 4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol (CID 135671338) is 4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol?
The canonical SMILES for 4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol is Cc1[nH]c(-c2ccc(O)cc2)nc1Cl.
What is the InChIKey of 4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol?
The InChIKey is ZKFUPWYPCNEQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6-9(11)13-10(12-6)7-2-4-8(14)5-3-7/h2-5,14H,1H3,(H,12,13).
What are the key properties of 4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol?
4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol has a molecular weight of 208.65 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-methyl-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 135671338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).