2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole

C17H20N4S — CID 169260037

IUPAC2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(CCn2cnc3ccccc32)sc1N1CCCC1
InChIInChI=1S/C17H20N4S/c1-13-17(20-9-4-5-10-20)22-16(19-13)8-11-21-12-18-14-6-2-3-7-15(14)21/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyYLKDMLISKUFSLB-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.64
Rot. Bonds4

About 2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole

2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 169260037) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole
PubChem CID169260037
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(CCn2cnc3ccccc32)sc1N1CCCC1
InChIInChI=1S/C17H20N4S/c1-13-17(20-9-4-5-10-20)22-16(19-13)8-11-21-12-18-14-6-2-3-7-15(14)21/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyYLKDMLISKUFSLB-UHFFFAOYSA-N
XLogP3.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole (CID 169260037) is 2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole is Cc1nc(CCn2cnc3ccccc32)sc1N1CCCC1.
What is the InChIKey of 2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is YLKDMLISKUFSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-13-17(20-9-4-5-10-20)22-16(19-13)8-11-21-12-18-14-6-2-3-7-15(14)21/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of 2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole?
2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 312.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)ethyl]-4-methyl-5-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 169260037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).