carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole

C19H25ClN2O3 — CID 159612303

IUPACcarbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole
SMILESCCc1nc(CC)n(-c2ccc(CC(C)C)cc2OC)c1Cl.O=C=O
InChIInChI=1S/C18H25ClN2O.CO2/c1-6-14-18(19)21(17(7-2)20-14)15-9-8-13(10-12(3)4)11-16(15)22-5;2-1-3/h8-9,11-12H,6-7,10H2,1-5H3;
InChIKeyMMVTYJHONWFBIZ-UHFFFAOYSA-N
MW364.87 g/mol
LogP4.27
Rot. Bonds6

About carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole

carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole (PubChem CID 159612303) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole.

Molecular Properties

Compound Namecarbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole
PubChem CID159612303
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Namecarbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole
SMILESCCc1nc(CC)n(-c2ccc(CC(C)C)cc2OC)c1Cl.O=C=O
InChIInChI=1S/C18H25ClN2O.CO2/c1-6-14-18(19)21(17(7-2)20-14)15-9-8-13(10-12(3)4)11-16(15)22-5;2-1-3/h8-9,11-12H,6-7,10H2,1-5H3;
InChIKeyMMVTYJHONWFBIZ-UHFFFAOYSA-N
XLogP4.27
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 167573962
2,5-diethyl-3-[2-(trideuteriomethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]imidazole-4-carbonitrile
CID 153296360
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]imidazole-4-carboxylic acid
CID 175791254
ethyl 2-methoxy-4-(2-methylpropyl)benzoate
CID 141306392
carbon dioxide;2-[3-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2,5-diethylimidazol-4-yl]ethynyl-trimethylsilane
CID 157148319
2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
CID 153296409
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331
carbon dioxide;4-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-methylimidazole
CID 161311196
2-[2-methoxy-4-(2-methylpropyl)phenyl]acetonitrile
CID 54516875
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-iodo-1-methoxy-4-(2-methylpropyl)benzene
CID 153170033

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole?
The IUPAC name of carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole (CID 159612303) is carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole.
What is the SMILES notation for carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole?
The canonical SMILES for carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole is CCc1nc(CC)n(-c2ccc(CC(C)C)cc2OC)c1Cl.O=C=O.
What is the InChIKey of carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole?
The InChIKey is MMVTYJHONWFBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O.CO2/c1-6-14-18(19)21(17(7-2)20-14)15-9-8-13(10-12(3)4)11-16(15)22-5;2-1-3/h8-9,11-12H,6-7,10H2,1-5H3;.
What are the key properties of carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole?
carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole has a molecular weight of 364.87 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-chloro-2,4-diethyl-1-[2-methoxy-4-(2-methylpropyl)phenyl]imidazole is sourced from PubChem (CID 159612303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).