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

C32H28N8 — CID 10052528

IUPAC6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCc1nc2c(C)cc(-c3cn4ccccc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C32H28N8/c1-3-8-30-34-31-21(2)17-24(27-20-39-16-7-6-11-29(39)33-27)18-28(31)40(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32-35-37-38-36-32/h4-7,9-18,20H,3,8,19H2,1-2H3,(H,35,36,37,38)
InChIKeyHPJCDTXAMABJSO-UHFFFAOYSA-N
MW524.63 g/mol
LogP6.51
Rot. Bonds7

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

6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (PubChem CID 10052528) has the molecular formula C32H28N8 and a molecular weight of 524.63 g/mol. Its IUPAC name is 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
PubChem CID10052528
Molecular FormulaC32H28N8
Molecular Weight524.63 g/mol
Exact Mass524.24
IUPAC Name6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCc1nc2c(C)cc(-c3cn4ccccc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C32H28N8/c1-3-8-30-34-31-21(2)17-24(27-20-39-16-7-6-11-29(39)33-27)18-28(31)40(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32-35-37-38-36-32/h4-7,9-18,20H,3,8,19H2,1-2H3,(H,35,36,37,38)
InChIKeyHPJCDTXAMABJSO-UHFFFAOYSA-N
XLogP6.51
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The IUPAC name of 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (CID 10052528) is 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is CCCc1nc2c(C)cc(-c3cn4ccccc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The InChIKey is HPJCDTXAMABJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N8/c1-3-8-30-34-31-21(2)17-24(27-20-39-16-7-6-11-29(39)33-27)18-28(31)40(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32-35-37-38-36-32/h4-7,9-18,20H,3,8,19H2,1-2H3,(H,35,36,37,38).
What are the key properties of 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole has a molecular weight of 524.63 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 10052528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).