[2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate

C22H23Cl2N7O2 — CID 19593509

IUPAC[2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate
SMILESCCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(-n2c(Cl)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H23Cl2N7O2/c1-3-4-5-20-25-21(24)18(13-33-14(2)32)30(20)12-15-6-8-16(9-7-15)31-17(10-11-19(31)23)22-26-28-29-27-22/h6-11H,3-5,12-13H2,1-2H3,(H,26,27,28,29)
InChIKeyVCADNGHMEOSTSM-UHFFFAOYSA-N
MW488.38 g/mol
LogP4.61
Rot. Bonds9

About [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate

[2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate (PubChem CID 19593509) has the molecular formula C22H23Cl2N7O2 and a molecular weight of 488.38 g/mol. Its IUPAC name is [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate
PubChem CID19593509
Molecular FormulaC22H23Cl2N7O2
Molecular Weight488.38 g/mol
Exact Mass487.13
IUPAC Name[2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate
SMILESCCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(-n2c(Cl)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H23Cl2N7O2/c1-3-4-5-20-25-21(24)18(13-33-14(2)32)30(20)12-15-6-8-16(9-7-15)31-17(10-11-19(31)23)22-26-28-29-27-22/h6-11H,3-5,12-13H2,1-2H3,(H,26,27,28,29)
InChIKeyVCADNGHMEOSTSM-UHFFFAOYSA-N
XLogP4.61
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate 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

5-[5-chloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
CID 18425994
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl (2S)-2-amino-3-sulfanylpropanoate
CID 87443321
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl 3-(dihydroxyamino)oxypropanoate
CID 89302009
5-[5-bromo-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
CID 18426071
[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
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl (2S)-2-(dimethylamino)-4-methylsulfanylbutanoate
CID 46852224
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl (2S)-5-amino-2-(methylamino)-5-oxopentanoate
CID 46851586
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl (2S)-5-amino-2-(dimethylamino)-5-oxopentanoate
CID 46851739
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl (2S)-piperidine-2-carboxylate
CID 46851245
5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
CID 19815438

Frequently Asked Questions

What is the IUPAC name of [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate?
The IUPAC name of [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate (CID 19593509) is [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate.
What is the SMILES notation for [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate?
The canonical SMILES for [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate is CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(-n2c(Cl)ccc2-c2nn[nH]n2)cc1.
What is the InChIKey of [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate?
The InChIKey is VCADNGHMEOSTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N7O2/c1-3-4-5-20-25-21(24)18(13-33-14(2)32)30(20)12-15-6-8-16(9-7-15)31-17(10-11-19(31)23)22-26-28-29-27-22/h6-11H,3-5,12-13H2,1-2H3,(H,26,27,28,29).
What are the key properties of [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate?
[2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate has a molecular weight of 488.38 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-5-chloro-3-[[4-[2-chloro-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]imidazol-4-yl]methyl acetate is sourced from PubChem (CID 19593509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).