[(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

C30H38ClN7O2 — CID 141224891

IUPAC[(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
SMILESCCCCc1nc(Cl)c([C@@H](Cc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)OC(=O)[C@@H]([C@H](C)CC)N(C)C)[nH]1
InChIInChI=1S/C30H38ClN7O2/c1-6-8-14-25-32-26(28(31)33-25)24(40-30(39)27(38(4)5)19(3)7-2)18-20-15-16-22(21-12-10-9-11-13-21)23(17-20)29-34-36-37-35-29/h9-13,15-17,19,24,27H,6-8,14,18H2,1-5H3,(H,32,33)(H,34,35,36,37)/t19-,24-,27-/m1/s1
InChIKeyOGKHNDBGDRGOHF-RMQVNJIYSA-N
MW564.13 g/mol
LogP6.06
Rot. Bonds13

About [(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

[(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 (PubChem CID 141224891) has the molecular formula C30H38ClN7O2 and a molecular weight of 564.13 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID141224891
Molecular FormulaC30H38ClN7O2
Molecular Weight564.13 g/mol
Exact Mass563.28
IUPAC Name[(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
SMILESCCCCc1nc(Cl)c([C@@H](Cc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)OC(=O)[C@@H]([C@H](C)CC)N(C)C)[nH]1
InChIInChI=1S/C30H38ClN7O2/c1-6-8-14-25-32-26(28(31)33-25)24(40-30(39)27(38(4)5)19(3)7-2)18-20-15-16-22(21-12-10-9-11-13-21)23(17-20)29-34-36-37-35-29/h9-13,15-17,19,24,27H,6-8,14,18H2,1-5H3,(H,32,33)(H,34,35,36,37)/t19-,24-,27-/m1/s1
InChIKeyOGKHNDBGDRGOHF-RMQVNJIYSA-N
XLogP6.06
TPSA112.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.13
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-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
[(1S)-1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethyl] (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 141224905
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol
CID 66704125
1-ethoxycarbonyloxyethyl 2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxylate
CID 19091497
[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl 1-(dihydroxyamino)oxyethyl carbonate
CID 89302464
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl (2S)-4-amino-2-(dimethylamino)-4-oxobutanoate
CID 46851584
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CCCCc1nc(Cl)c([C@@H](Cc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)OC(=O)[C@@H]([C@H](C)CC)N(C)C)[nH]1.
What is the InChIKey of [(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?
The InChIKey is OGKHNDBGDRGOHF-RMQVNJIYSA-N. The full InChI is InChI=1S/C30H38ClN7O2/c1-6-8-14-25-32-26(28(31)33-25)24(40-30(39)27(38(4)5)19(3)7-2)18-20-15-16-22(21-12-10-9-11-13-21)23(17-20)29-34-36-37-35-29/h9-13,15-17,19,24,27H,6-8,14,18H2,1-5H3,(H,32,33)(H,34,35,36,37)/t19-,24-,27-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 564.13 g/mol, XLogP of 6.06, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 141224891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).