2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile

C30H25N5S — CID 19964741

IUPAC2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile
SMILESCCCc1nc2c(C)cc(-c3cn4ccsc4n3)cc2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C30H25N5S/c1-3-6-28-33-29-20(2)15-24(26-19-34-13-14-36-30(34)32-26)16-27(29)35(28)18-21-9-11-22(12-10-21)25-8-5-4-7-23(25)17-31/h4-5,7-16,19H,3,6,18H2,1-2H3
InChIKeyYQZDXJMNGMAACL-UHFFFAOYSA-N
MW487.63 g/mol
LogP7.26
Rot. Bonds6

About 2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile

2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile (PubChem CID 19964741) has the molecular formula C30H25N5S and a molecular weight of 487.63 g/mol. Its IUPAC name is 2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile
PubChem CID19964741
Molecular FormulaC30H25N5S
Molecular Weight487.63 g/mol
Exact Mass487.18
IUPAC Name2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile
SMILESCCCc1nc2c(C)cc(-c3cn4ccsc4n3)cc2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C30H25N5S/c1-3-6-28-33-29-20(2)15-24(26-19-34-13-14-36-30(34)32-26)16-27(29)35(28)18-21-9-11-22(12-10-21)25-8-5-4-7-23(25)17-31/h4-5,7-16,19H,3,6,18H2,1-2H3
InChIKeyYQZDXJMNGMAACL-UHFFFAOYSA-N
XLogP7.26
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.63
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile (CID 19964741) is 2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile is CCCc1nc2c(C)cc(-c3cn4ccsc4n3)cc2n1Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile?
The InChIKey is YQZDXJMNGMAACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5S/c1-3-6-28-33-29-20(2)15-24(26-19-34-13-14-36-30(34)32-26)16-27(29)35(28)18-21-9-11-22(12-10-21)25-8-5-4-7-23(25)17-31/h4-5,7-16,19H,3,6,18H2,1-2H3.
What are the key properties of 2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile?
2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile has a molecular weight of 487.63 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-imidazo[2,1-b][1,3]thiazol-6-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 19964741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).