4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole

C21H24ClFN2O2 — CID 11315312

IUPAC4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole
SMILESCCCC1NC(c2ccc(OC)cc2OCCF)=NC1c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClFN2O2/c1-3-4-18-20(14-5-7-15(22)8-6-14)25-21(24-18)17-10-9-16(26-2)13-19(17)27-12-11-23/h5-10,13,18,20H,3-4,11-12H2,1-2H3,(H,24,25)
InChIKeyTULOTTNSYJDGMQ-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.96
Rot. Bonds8

About 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole

4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole (PubChem CID 11315312) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole
PubChem CID11315312
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole
SMILESCCCC1NC(c2ccc(OC)cc2OCCF)=NC1c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClFN2O2/c1-3-4-18-20(14-5-7-15(22)8-6-14)25-21(24-18)17-10-9-16(26-2)13-19(17)27-12-11-23/h5-10,13,18,20H,3-4,11-12H2,1-2H3,(H,24,25)
InChIKeyTULOTTNSYJDGMQ-UHFFFAOYSA-N
XLogP4.96
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole
CID 58735089
(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole
CID 59093226
(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 59093201
(4S,5R)-4-(4-chlorophenyl)-5-(cyclopentylmethyl)-2-(2,4-diethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 58735084
(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 59093148
[4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 22720993
4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 10151200
2-[4-[4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-yl]acetaldehyde
CID 22721059
(4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 155561723
[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride
CID 22721203
4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 59792646
4-[5-methoxy-2-[4-(4-pentoxyphenyl)phenyl]phenoxy]butan-1-amine
CID 138570577

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole (CID 11315312) is 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole is CCCC1NC(c2ccc(OC)cc2OCCF)=NC1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole?
The InChIKey is TULOTTNSYJDGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-3-4-18-20(14-5-7-15(22)8-6-14)25-21(24-18)17-10-9-16(26-2)13-19(17)27-12-11-23/h5-10,13,18,20H,3-4,11-12H2,1-2H3,(H,24,25).
What are the key properties of 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole?
4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole has a molecular weight of 390.89 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11315312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).