6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

C32H27BrN8 — CID 19964704

IUPAC6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCCc1nc2ccc(-c3cn4cc(Br)ccc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C32H27BrN8/c1-2-3-8-31-34-27-15-13-23(28-20-40-19-24(33)14-16-30(40)35-28)17-29(27)41(31)18-21-9-11-22(12-10-21)25-6-4-5-7-26(25)32-36-38-39-37-32/h4-7,9-17,19-20H,2-3,8,18H2,1H3,(H,36,37,38,39)
InChIKeyGFIMNGPXWWVRNJ-UHFFFAOYSA-N
MW603.53 g/mol
LogP7.35
Rot. Bonds8

About 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (PubChem CID 19964704) has the molecular formula C32H27BrN8 and a molecular weight of 603.53 g/mol. Its IUPAC name is 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
PubChem CID19964704
Molecular FormulaC32H27BrN8
Molecular Weight603.53 g/mol
Exact Mass602.15
IUPAC Name6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCCc1nc2ccc(-c3cn4cc(Br)ccc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C32H27BrN8/c1-2-3-8-31-34-27-15-13-23(28-20-40-19-24(33)14-16-30(40)35-28)17-29(27)41(31)18-21-9-11-22(12-10-21)25-6-4-5-7-26(25)32-36-38-39-37-32/h4-7,9-17,19-20H,2-3,8,18H2,1H3,(H,36,37,38,39)
InChIKeyGFIMNGPXWWVRNJ-UHFFFAOYSA-N
XLogP7.35
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.53
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The IUPAC name of 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (CID 19964704) is 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is CCCCc1nc2ccc(-c3cn4cc(Br)ccc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The InChIKey is GFIMNGPXWWVRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27BrN8/c1-2-3-8-31-34-27-15-13-23(28-20-40-19-24(33)14-16-30(40)35-28)17-29(27)41(31)18-21-9-11-22(12-10-21)25-6-4-5-7-26(25)32-36-38-39-37-32/h4-7,9-17,19-20H,2-3,8,18H2,1H3,(H,36,37,38,39).
What are the key properties of 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole has a molecular weight of 603.53 g/mol, XLogP of 7.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 19964704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).