3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide

C20H21ClN4O3 — CID 139949983

IUPAC3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide
SMILESCON(C)C(=O)C(C)Cc1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C20H21ClN4O3/c1-12(20(27)25(2)28-3)10-17-23-18(13-6-8-22-9-7-13)19(24-17)14-4-5-15(21)16(26)11-14/h4-9,11-12,26H,10H2,1-3H3,(H,23,24)
InChIKeyUFQFGMDETJNZCS-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.70
Rot. Bonds6

About 3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide

3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide (PubChem CID 139949983) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide
PubChem CID139949983
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide
SMILESCON(C)C(=O)C(C)Cc1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C20H21ClN4O3/c1-12(20(27)25(2)28-3)10-17-23-18(13-6-8-22-9-7-13)19(24-17)14-4-5-15(21)16(26)11-14/h4-9,11-12,26H,10H2,1-3H3,(H,23,24)
InChIKeyUFQFGMDETJNZCS-UHFFFAOYSA-N
XLogP3.70
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide?
The IUPAC name of 3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide (CID 139949983) is 3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for 3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide is CON(C)C(=O)C(C)Cc1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide?
The InChIKey is UFQFGMDETJNZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-12(20(27)25(2)28-3)10-17-23-18(13-6-8-22-9-7-13)19(24-17)14-4-5-15(21)16(26)11-14/h4-9,11-12,26H,10H2,1-3H3,(H,23,24).
What are the key properties of 3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide?
3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide has a molecular weight of 400.87 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 139949983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).