5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol

C21H17ClN4O — CID 22185379

IUPAC5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
SMILESNCc1ccc(-c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H17ClN4O/c22-17-6-5-16(11-18(17)27)20-19(14-7-9-24-10-8-14)25-21(26-20)15-3-1-13(12-23)2-4-15/h1-11,27H,12,23H2,(H,25,26)
InChIKeyUOHHVCYLYIQXFG-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.62
Rot. Bonds4

About 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol

5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol (PubChem CID 22185379) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol.

Molecular Properties

Compound Name5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
PubChem CID22185379
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
SMILESNCc1ccc(-c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H17ClN4O/c22-17-6-5-16(11-18(17)27)20-19(14-7-9-24-10-8-14)25-21(26-20)15-3-1-13(12-23)2-4-15/h1-11,27H,12,23H2,(H,25,26)
InChIKeyUOHHVCYLYIQXFG-UHFFFAOYSA-N
XLogP4.62
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol?
The IUPAC name of 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol (CID 22185379) is 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol.
What is the SMILES notation for 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol?
The canonical SMILES for 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol is NCc1ccc(-c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol?
The InChIKey is UOHHVCYLYIQXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-17-6-5-16(11-18(17)27)20-19(14-7-9-24-10-8-14)25-21(26-20)15-3-1-13(12-23)2-4-15/h1-11,27H,12,23H2,(H,25,26).
What are the key properties of 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol?
5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol has a molecular weight of 376.85 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol is sourced from PubChem (CID 22185379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).