4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide

C24H26Cl2N4O3 — CID 56680374

IUPAC4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide
SMILESCCC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)NCC(=O)N1CCOCC1
InChIInChI=1S/C24H26Cl2N4O3/c1-2-20-28-22(16-3-7-18(25)8-4-16)23(17-5-9-19(26)10-6-17)30(20)24(32)27-15-21(31)29-11-13-33-14-12-29/h3-10,22-23H,2,11-15H2,1H3,(H,27,32)
InChIKeyPFHTXTWMEDAQPH-UHFFFAOYSA-N
MW489.40 g/mol
LogP4.47
Rot. Bonds5

About 4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide

4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide (PubChem CID 56680374) has the molecular formula C24H26Cl2N4O3 and a molecular weight of 489.40 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide
PubChem CID56680374
Molecular FormulaC24H26Cl2N4O3
Molecular Weight489.40 g/mol
Exact Mass488.14
IUPAC Name4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide
SMILESCCC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)NCC(=O)N1CCOCC1
InChIInChI=1S/C24H26Cl2N4O3/c1-2-20-28-22(16-3-7-18(25)8-4-16)23(17-5-9-19(26)10-6-17)30(20)24(32)27-15-21(31)29-11-13-33-14-12-29/h3-10,22-23H,2,11-15H2,1H3,(H,27,32)
InChIKeyPFHTXTWMEDAQPH-UHFFFAOYSA-N
XLogP4.47
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide (CID 56680374) is 4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide is CCC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)NCC(=O)N1CCOCC1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide?
The InChIKey is PFHTXTWMEDAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O3/c1-2-20-28-22(16-3-7-18(25)8-4-16)23(17-5-9-19(26)10-6-17)30(20)24(32)27-15-21(31)29-11-13-33-14-12-29/h3-10,22-23H,2,11-15H2,1H3,(H,27,32).
What are the key properties of 4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide?
4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 489.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 56680374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).