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

C17H19ClN10 — CID 19815438

IUPAC5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
SMILESCCCCc1nc(Cl)c(Cc2nn[nH]n2)n1Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H19ClN10/c1-2-3-4-15-19-16(18)13(9-14-20-24-25-21-14)28(15)10-11-5-7-12(8-6-11)17-22-26-27-23-17/h5-8H,2-4,9-10H2,1H3,(H,20,21,24,25)(H,22,23,26,27)
InChIKeyLHVLUYMOMISGJJ-UHFFFAOYSA-N
MW398.86 g/mol
LogP2.21
Rot. Bonds8

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

5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole (PubChem CID 19815438) has the molecular formula C17H19ClN10 and a molecular weight of 398.86 g/mol. Its IUPAC name is 5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
PubChem CID19815438
Molecular FormulaC17H19ClN10
Molecular Weight398.86 g/mol
Exact Mass398.15
IUPAC Name5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
SMILESCCCCc1nc(Cl)c(Cc2nn[nH]n2)n1Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H19ClN10/c1-2-3-4-15-19-16(18)13(9-14-20-24-25-21-14)28(15)10-11-5-7-12(8-6-11)17-22-26-27-23-17/h5-8H,2-4,9-10H2,1H3,(H,20,21,24,25)(H,22,23,26,27)
InChIKeyLHVLUYMOMISGJJ-UHFFFAOYSA-N
XLogP2.21
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.86
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole with MolForge

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Related Compounds

[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
5-[2-[4-[(2,5-dibutyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;ethane
CID 145006110
[2-butyl-5-chloro-3-[[6-(2H-tetrazol-5-yl)naphthalen-2-yl]methyl]imidazol-4-yl]methanol
CID 15699054
2-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]benzoyl]benzoic acid
CID 19815318
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798
[5-butyl-4-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]methanol
CID 70684421
[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazol-4-yl]methanol
CID 45039667
2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde;[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 167599021
5-[2-[4-[[2-butyl-4-chloro-5-[(4-fluorophenyl)methoxymethyl]imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 25012763
sodium;[2-butyl-5-chloro-3-[[4-[4-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]methyl]imidazol-4-yl]methanol;dihydrogen phosphate
CID 23700857
[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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole (CID 19815438) is 5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole is CCCCc1nc(Cl)c(Cc2nn[nH]n2)n1Cc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole?
The InChIKey is LHVLUYMOMISGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN10/c1-2-3-4-15-19-16(18)13(9-14-20-24-25-21-14)28(15)10-11-5-7-12(8-6-11)17-22-26-27-23-17/h5-8H,2-4,9-10H2,1H3,(H,20,21,24,25)(H,22,23,26,27).
What are the key properties of 5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole?
5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole has a molecular weight of 398.86 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 19815438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).