(2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol

C12H13ClN2O — CID 58951912

IUPAC(2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol
SMILESCCc1cccc(Cl)c1C(O)c1cnc[nH]1
InChIInChI=1S/C12H13ClN2O/c1-2-8-4-3-5-9(13)11(8)12(16)10-6-14-7-15-10/h3-7,12,16H,2H2,1H3,(H,14,15)
InChIKeyKDPBPGIGVJUFPZ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.71
Rot. Bonds3

About (2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol

(2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol (PubChem CID 58951912) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol
PubChem CID58951912
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol
SMILESCCc1cccc(Cl)c1C(O)c1cnc[nH]1
InChIInChI=1S/C12H13ClN2O/c1-2-8-4-3-5-9(13)11(8)12(16)10-6-14-7-15-10/h3-7,12,16H,2H2,1H3,(H,14,15)
InChIKeyKDPBPGIGVJUFPZ-UHFFFAOYSA-N
XLogP2.71
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol?
The IUPAC name of (2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol (CID 58951912) is (2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol.
What is the SMILES notation for (2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol is CCc1cccc(Cl)c1C(O)c1cnc[nH]1.
What is the InChIKey of (2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol?
The InChIKey is KDPBPGIGVJUFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-8-4-3-5-9(13)11(8)12(16)10-6-14-7-15-10/h3-7,12,16H,2H2,1H3,(H,14,15).
What are the key properties of (2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol?
(2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol has a molecular weight of 236.70 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol is sourced from PubChem (CID 58951912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).