[3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone

C22H20ClN5O2 — CID 53447085

IUPAC[3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone
SMILESCN(C)c1ccc(C2=NN(c3ccc(Cl)cc3)N(C(=O)c3ccccc3O)N2)cc1
InChIInChI=1S/C22H20ClN5O2/c1-26(2)17-11-7-15(8-12-17)21-24-27(18-13-9-16(23)10-14-18)28(25-21)22(30)19-5-3-4-6-20(19)29/h3-14,29H,1-2H3,(H,24,25)
InChIKeyLPGJRGKXUQZRCU-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.86
Rot. Bonds4

About [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone

[3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone (PubChem CID 53447085) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone
PubChem CID53447085
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name[3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone
SMILESCN(C)c1ccc(C2=NN(c3ccc(Cl)cc3)N(C(=O)c3ccccc3O)N2)cc1
InChIInChI=1S/C22H20ClN5O2/c1-26(2)17-11-7-15(8-12-17)21-24-27(18-13-9-16(23)10-14-18)28(25-21)22(30)19-5-3-4-6-20(19)29/h3-14,29H,1-2H3,(H,24,25)
InChIKeyLPGJRGKXUQZRCU-UHFFFAOYSA-N
XLogP3.86
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone 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 [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone (CID 53447085) is [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone is CN(C)c1ccc(C2=NN(c3ccc(Cl)cc3)N(C(=O)c3ccccc3O)N2)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is LPGJRGKXUQZRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-26(2)17-11-7-15(8-12-17)21-24-27(18-13-9-16(23)10-14-18)28(25-21)22(30)19-5-3-4-6-20(19)29/h3-14,29H,1-2H3,(H,24,25).
What are the key properties of [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone?
[3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 421.89 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-1H-tetrazol-2-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 53447085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).