1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol

C22H23ClN6O — CID 66704125

IUPAC1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol
SMILESCCCCc1nc(Cl)c(C(O)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[nH]1
InChIInChI=1S/C22H23ClN6O/c1-2-3-8-19-24-20(21(23)25-19)18(30)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)22-26-28-29-27-22/h4-7,9-12,18,30H,2-3,8,13H2,1H3,(H,24,25)(H,26,27,28,29)
InChIKeyPLWWEBQAVHZEOL-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.53
Rot. Bonds8

About 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol

1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol (PubChem CID 66704125) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol
PubChem CID66704125
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol
SMILESCCCCc1nc(Cl)c(C(O)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[nH]1
InChIInChI=1S/C22H23ClN6O/c1-2-3-8-19-24-20(21(23)25-19)18(30)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)22-26-28-29-27-22/h4-7,9-12,18,30H,2-3,8,13H2,1H3,(H,24,25)(H,26,27,28,29)
InChIKeyPLWWEBQAVHZEOL-UHFFFAOYSA-N
XLogP4.53
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethyl] (2R)-2-amino-3-methylbutanoate
CID 141224883
[1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethyl] 2-(dimethylamino)-2-methylpropanoate
CID 141224884
[(1S)-1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethyl] (2S)-2-(methylamino)-3-sulfanylpropanoate
CID 141224834
[(1R)-1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethyl] (2R,3R)-2-(dimethylamino)-3-methylpentanoate
CID 141224891
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
[5-butyl-4-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]methanol
CID 70684421
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
5-[2-(4-decylphenyl)phenyl]-2H-tetrazole;[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
CID 67613787
[(1R)-1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethyl] (2R)-2-(methylamino)-4-methylsulfanylbutanoate
CID 141224852
[(1R)-1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethyl] (2R)-piperidine-2-carboxylate
CID 141224822
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol?
The IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol (CID 66704125) is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol.
What is the SMILES notation for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol?
The canonical SMILES for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol is CCCCc1nc(Cl)c(C(O)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[nH]1.
What is the InChIKey of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol?
The InChIKey is PLWWEBQAVHZEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O/c1-2-3-8-19-24-20(21(23)25-19)18(30)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)22-26-28-29-27-22/h4-7,9-12,18,30H,2-3,8,13H2,1H3,(H,24,25)(H,26,27,28,29).
What are the key properties of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol?
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol has a molecular weight of 422.92 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol is sourced from PubChem (CID 66704125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).