4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide

C28H29Cl2N3O3 — CID 56673707

IUPAC4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide
SMILESCOc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N(C)C)c(OC(C)C)c1
InChIInChI=1S/C28H29Cl2N3O3/c1-17(2)36-24-16-22(35-5)14-15-23(24)27-31-25(18-6-10-20(29)11-7-18)26(33(27)28(34)32(3)4)19-8-12-21(30)13-9-19/h6-17,25-26H,1-5H3
InChIKeyPTENKUANKZOZDE-UHFFFAOYSA-N
MW526.46 g/mol
LogP7.02
Rot. Bonds6

About 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide

4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide (PubChem CID 56673707) has the molecular formula C28H29Cl2N3O3 and a molecular weight of 526.46 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide
PubChem CID56673707
Molecular FormulaC28H29Cl2N3O3
Molecular Weight526.46 g/mol
Exact Mass525.16
IUPAC Name4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide
SMILESCOc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N(C)C)c(OC(C)C)c1
InChIInChI=1S/C28H29Cl2N3O3/c1-17(2)36-24-16-22(35-5)14-15-23(24)27-31-25(18-6-10-20(29)11-7-18)26(33(27)28(34)32(3)4)19-8-12-21(30)13-9-19/h6-17,25-26H,1-5H3
InChIKeyPTENKUANKZOZDE-UHFFFAOYSA-N
XLogP7.02
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.46
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide (CID 56673707) is 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide is COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N(C)C)c(OC(C)C)c1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide?
The InChIKey is PTENKUANKZOZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N3O3/c1-17(2)36-24-16-22(35-5)14-15-23(24)27-31-25(18-6-10-20(29)11-7-18)26(33(27)28(34)32(3)4)19-8-12-21(30)13-9-19/h6-17,25-26H,1-5H3.
What are the key properties of 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide?
4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 526.46 g/mol, XLogP of 7.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-N,N-dimethyl-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 56673707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).