4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole

C24H26N4S — CID 24789405

IUPAC4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCCCn1c(C2CCCN2c2nc(-c3ccc(C)cc3)cs2)nc2ccccc21
InChIInChI=1S/C24H26N4S/c1-3-14-27-21-8-5-4-7-19(21)25-23(27)22-9-6-15-28(22)24-26-20(16-29-24)18-12-10-17(2)11-13-18/h4-5,7-8,10-13,16,22H,3,6,9,14-15H2,1-2H3
InChIKeyURMNNYKLYCWVQT-UHFFFAOYSA-N
MW402.57 g/mol
LogP6.22
Rot. Bonds5

About 4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole

4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole (PubChem CID 24789405) has the molecular formula C24H26N4S and a molecular weight of 402.57 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole
PubChem CID24789405
Molecular FormulaC24H26N4S
Molecular Weight402.57 g/mol
Exact Mass402.19
IUPAC Name4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCCCn1c(C2CCCN2c2nc(-c3ccc(C)cc3)cs2)nc2ccccc21
InChIInChI=1S/C24H26N4S/c1-3-14-27-21-8-5-4-7-19(21)25-23(27)22-9-6-15-28(22)24-26-20(16-29-24)18-12-10-17(2)11-13-18/h4-5,7-8,10-13,16,22H,3,6,9,14-15H2,1-2H3
InChIKeyURMNNYKLYCWVQT-UHFFFAOYSA-N
XLogP6.22
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole (CID 24789405) is 4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole is CCCn1c(C2CCCN2c2nc(-c3ccc(C)cc3)cs2)nc2ccccc21.
What is the InChIKey of 4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is URMNNYKLYCWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4S/c1-3-14-27-21-8-5-4-7-19(21)25-23(27)22-9-6-15-28(22)24-26-20(16-29-24)18-12-10-17(2)11-13-18/h4-5,7-8,10-13,16,22H,3,6,9,14-15H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole?
4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 402.57 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-[2-(1-propylbenzimidazol-2-yl)pyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 24789405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).