5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole

C19H17Br2Cl2N7 — CID 18426025

IUPAC5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
SMILESCCCCc1nc(Br)c(Br)n1Cc1ccc(-n2c(Cl)cc(Cl)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C19H17Br2Cl2N7/c1-2-3-4-15-24-17(20)18(21)29(15)10-11-5-7-12(8-6-11)30-14(23)9-13(22)16(30)19-25-27-28-26-19/h5-9H,2-4,10H2,1H3,(H,25,26,27,28)
InChIKeyHBAVSWXIPXIDEQ-UHFFFAOYSA-N
MW574.11 g/mol
LogP6.08
Rot. Bonds7

About 5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole

5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole (PubChem CID 18426025) has the molecular formula C19H17Br2Cl2N7 and a molecular weight of 574.11 g/mol. Its IUPAC name is 5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
PubChem CID18426025
Molecular FormulaC19H17Br2Cl2N7
Molecular Weight574.11 g/mol
Exact Mass570.93
IUPAC Name5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
SMILESCCCCc1nc(Br)c(Br)n1Cc1ccc(-n2c(Cl)cc(Cl)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C19H17Br2Cl2N7/c1-2-3-4-15-24-17(20)18(21)29(15)10-11-5-7-12(8-6-11)30-14(23)9-13(22)16(30)19-25-27-28-26-19/h5-9H,2-4,10H2,1H3,(H,25,26,27,28)
InChIKeyHBAVSWXIPXIDEQ-UHFFFAOYSA-N
XLogP6.08
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.11
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-chloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
CID 18425994
5-[5-bromo-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
CID 18426071
5-[1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)pyrrol-2-yl]-2H-tetrazole
CID 18426065
5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-dichloropyrrol-2-yl]-2H-tetrazole
CID 18994866
5-[1-[4-[(5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-dimethylpyrrol-2-yl]-2H-tetrazole
CID 18995178
[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
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-chloropyrrol-2-yl]-2H-tetrazole
CID 18994753
5-[5-bromo-1-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
CID 18995157
5-[4-[[2-butyl-4-chloro-5-(2H-tetrazol-5-ylmethyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
CID 19815438
5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-bis(trifluoromethyl)pyrrol-2-yl]-2H-tetrazole
CID 18994797
[2-butyl-5-chloro-3-[[6-(2H-tetrazol-5-yl)naphthalen-2-yl]methyl]imidazol-4-yl]methanol
CID 15699054

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole?
The IUPAC name of 5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole (CID 18426025) is 5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole is CCCCc1nc(Br)c(Br)n1Cc1ccc(-n2c(Cl)cc(Cl)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole?
The InChIKey is HBAVSWXIPXIDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2Cl2N7/c1-2-3-4-15-24-17(20)18(21)29(15)10-11-5-7-12(8-6-11)30-14(23)9-13(22)16(30)19-25-27-28-26-19/h5-9H,2-4,10H2,1H3,(H,25,26,27,28).
What are the key properties of 5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole?
5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole has a molecular weight of 574.11 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dichloro-1-[4-[(4,5-dibromo-2-butylimidazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole is sourced from PubChem (CID 18426025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).