2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol

C16H14ClN3O — CID 155913572

IUPAC2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol
SMILESCc1cc(Cn2ccnc2-c2cccc(O)c2Cl)ccn1
InChIInChI=1S/C16H14ClN3O/c1-11-9-12(5-6-18-11)10-20-8-7-19-16(20)13-3-2-4-14(21)15(13)17/h2-9,21H,10H2,1H3
InChIKeyHFMTZTYZXOTICV-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.66
Rot. Bonds3

About 2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol

2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol (PubChem CID 155913572) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol
PubChem CID155913572
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol
SMILESCc1cc(Cn2ccnc2-c2cccc(O)c2Cl)ccn1
InChIInChI=1S/C16H14ClN3O/c1-11-9-12(5-6-18-11)10-20-8-7-19-16(20)13-3-2-4-14(21)15(13)17/h2-9,21H,10H2,1H3
InChIKeyHFMTZTYZXOTICV-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol?
The IUPAC name of 2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol (CID 155913572) is 2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol.
What is the SMILES notation for 2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol?
The canonical SMILES for 2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol is Cc1cc(Cn2ccnc2-c2cccc(O)c2Cl)ccn1.
What is the InChIKey of 2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol?
The InChIKey is HFMTZTYZXOTICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-9-12(5-6-18-11)10-20-8-7-19-16(20)13-3-2-4-14(21)15(13)17/h2-9,21H,10H2,1H3.
What are the key properties of 2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol?
2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol has a molecular weight of 299.76 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol is sourced from PubChem (CID 155913572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).