2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole

C23H24N4S — CID 25204437

IUPAC2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCCN1Cc1csc(-c2ccc(Cn3cnc4ccccc43)cc2)n1
InChIInChI=1S/C23H24N4S/c1-17-5-4-12-26(17)14-20-15-28-23(25-20)19-10-8-18(9-11-19)13-27-16-24-21-6-2-3-7-22(21)27/h2-3,6-11,15-17H,4-5,12-14H2,1H3
InChIKeyVUYMLRUDFUGGBF-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.19
Rot. Bonds5

About 2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole

2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole (PubChem CID 25204437) has the molecular formula C23H24N4S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole
PubChem CID25204437
Molecular FormulaC23H24N4S
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Name2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCCN1Cc1csc(-c2ccc(Cn3cnc4ccccc43)cc2)n1
InChIInChI=1S/C23H24N4S/c1-17-5-4-12-26(17)14-20-15-28-23(25-20)19-10-8-18(9-11-19)13-27-16-24-21-6-2-3-7-22(21)27/h2-3,6-11,15-17H,4-5,12-14H2,1H3
InChIKeyVUYMLRUDFUGGBF-UHFFFAOYSA-N
XLogP5.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole (CID 25204437) is 2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole is CC1CCCN1Cc1csc(-c2ccc(Cn3cnc4ccccc43)cc2)n1.
What is the InChIKey of 2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is VUYMLRUDFUGGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4S/c1-17-5-4-12-26(17)14-20-15-28-23(25-20)19-10-8-18(9-11-19)13-27-16-24-21-6-2-3-7-22(21)27/h2-3,6-11,15-17H,4-5,12-14H2,1H3.
What are the key properties of 2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole?
2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 388.54 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-1-ylmethyl)phenyl]-4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 25204437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).