4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole

C30H32Cl3N3O3S — CID 90170336

IUPAC4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole
SMILESCCCOc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1
InChIInChI=1S/C30H32Cl3N3O3S/c1-4-17-39-26-19-25(33)27(40(37,38)36-15-5-6-16-36)18-24(26)28-34-29(2,20-7-11-22(31)12-8-20)30(3,35-28)21-9-13-23(32)14-10-21/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,34,35)
InChIKeyMSYSAPMYDPFHFV-UHFFFAOYSA-N
MW621.03 g/mol
LogP7.40
Rot. Bonds8

About 4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole

4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole (PubChem CID 90170336) has the molecular formula C30H32Cl3N3O3S and a molecular weight of 621.03 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole
PubChem CID90170336
Molecular FormulaC30H32Cl3N3O3S
Molecular Weight621.03 g/mol
Exact Mass619.12
IUPAC Name4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole
SMILESCCCOc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1
InChIInChI=1S/C30H32Cl3N3O3S/c1-4-17-39-26-19-25(33)27(40(37,38)36-15-5-6-16-36)18-24(26)28-34-29(2,20-7-11-22(31)12-8-20)30(3,35-28)21-9-13-23(32)14-10-21/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,34,35)
InChIKeyMSYSAPMYDPFHFV-UHFFFAOYSA-N
XLogP7.40
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.03
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-N-tert-butyl-2-chloro-4-ethoxybenzenesulfonamide
CID 58894217
1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine
CID 27243935
2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-3-ethoxyphenyl]propan-2-ol
CID 58894258
(4R,5S)-5-(4-chlorocyclohexa-2,4-dien-1-yl)-2-(4-chloro-2-ethoxy-5-methylsulfonylphenyl)-4-(4-chlorophenyl)-4,5-dimethyl-1H-imidazole
CID 71190164
4-[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-3-ethoxybenzonitrile
CID 91869338
(4S,5R)-2-(4-chloro-2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl chloride
CID 90171941
(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethylimidazole-1-carbonyl chloride
CID 58894304
5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine
CID 68752347
4-[(4S,5R)-2-(4-chloro-2-ethoxy-5-methylsulfonylphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-2-one
CID 74767432
(4-aminopiperidin-1-yl)-[(4S,5R)-2-(4-chloro-2-ethoxy-5-methylsulfonylphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]methanone
CID 74766953
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonyl-1,4-diazepane
CID 120707063

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole (CID 90170336) is 4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole is CCCOc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole?
The InChIKey is MSYSAPMYDPFHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl3N3O3S/c1-4-17-39-26-19-25(33)27(40(37,38)36-15-5-6-16-36)18-24(26)28-34-29(2,20-7-11-22(31)12-8-20)30(3,35-28)21-9-13-23(32)14-10-21/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,34,35).
What are the key properties of 4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole?
4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole has a molecular weight of 621.03 g/mol, XLogP of 7.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2-(4-chloro-2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-1H-imidazole is sourced from PubChem (CID 90170336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).