[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate

C19H18ClN3O3 — CID 69444382

IUPAC[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate
SMILESCOc1ccc(-c2nc(OC(=O)N(C)C)[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O3/c1-23(2)19(24)26-18-21-16(12-4-8-14(20)9-5-12)17(22-18)13-6-10-15(25-3)11-7-13/h4-11H,1-3H3,(H,21,22)
InChIKeyPEFBZHSTTJQFFH-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.47
Rot. Bonds4

About [5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate

[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate (PubChem CID 69444382) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate
PubChem CID69444382
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate
SMILESCOc1ccc(-c2nc(OC(=O)N(C)C)[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O3/c1-23(2)19(24)26-18-21-16(12-4-8-14(20)9-5-12)17(22-18)13-6-10-15(25-3)11-7-13/h4-11H,1-3H3,(H,21,22)
InChIKeyPEFBZHSTTJQFFH-UHFFFAOYSA-N
XLogP4.47
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate?
The IUPAC name of [5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate (CID 69444382) is [5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate?
The canonical SMILES for [5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate is COc1ccc(-c2nc(OC(=O)N(C)C)[nH]c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate?
The InChIKey is PEFBZHSTTJQFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-23(2)19(24)26-18-21-16(12-4-8-14(20)9-5-12)17(22-18)13-6-10-15(25-3)11-7-13/h4-11H,1-3H3,(H,21,22).
What are the key properties of [5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate?
[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate has a molecular weight of 371.82 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 69444382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).