6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole

C30H26N8S — CID 19964908

IUPAC6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole
SMILESCCCc1nc2c(C)cc(-c3cn4ccsc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C30H26N8S/c1-3-6-27-32-28-19(2)15-22(25-18-37-13-14-39-30(37)31-25)16-26(28)38(27)17-20-9-11-21(12-10-20)23-7-4-5-8-24(23)29-33-35-36-34-29/h4-5,7-16,18H,3,6,17H2,1-2H3,(H,33,34,35,36)
InChIKeySWQNQNYAGLMELT-UHFFFAOYSA-N
MW530.66 g/mol
LogP6.57
Rot. Bonds7

About 6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole

6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 19964908) has the molecular formula C30H26N8S and a molecular weight of 530.66 g/mol. Its IUPAC name is 6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID19964908
Molecular FormulaC30H26N8S
Molecular Weight530.66 g/mol
Exact Mass530.20
IUPAC Name6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole
SMILESCCCc1nc2c(C)cc(-c3cn4ccsc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C30H26N8S/c1-3-6-27-32-28-19(2)15-22(25-18-37-13-14-39-30(37)31-25)16-26(28)38(27)17-20-9-11-21(12-10-20)23-7-4-5-8-24(23)29-33-35-36-34-29/h4-5,7-16,18H,3,6,17H2,1-2H3,(H,33,34,35,36)
InChIKeySWQNQNYAGLMELT-UHFFFAOYSA-N
XLogP6.57
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole (CID 19964908) is 6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole is CCCc1nc2c(C)cc(-c3cn4ccsc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is SWQNQNYAGLMELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8S/c1-3-6-27-32-28-19(2)15-22(25-18-37-13-14-39-30(37)31-25)16-26(28)38(27)17-20-9-11-21(12-10-20)23-7-4-5-8-24(23)29-33-35-36-34-29/h4-5,7-16,18H,3,6,17H2,1-2H3,(H,33,34,35,36).
What are the key properties of 6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?
6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 530.66 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 19964908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).