2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C17H24N4S — CID 129475472

IUPAC2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)s1
InChIInChI=1S/C17H24N4S/c1-12-18-10-13(22-12)11-21-9-5-8-16(21)17-19-14-6-3-4-7-15(14)20(17)2/h10,16H,3-9,11H2,1-2H3/t16-/m1/s1
InChIKeyTVEGJGVHFQWGHY-MRXNPFEDSA-N
MW316.47 g/mol
LogP3.40
Rot. Bonds3

About 2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 129475472) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID129475472
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)s1
InChIInChI=1S/C17H24N4S/c1-12-18-10-13(22-12)11-21-9-5-8-16(21)17-19-14-6-3-4-7-15(14)20(17)2/h10,16H,3-9,11H2,1-2H3/t16-/m1/s1
InChIKeyTVEGJGVHFQWGHY-MRXNPFEDSA-N
XLogP3.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 129475472) is 2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1ncc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)s1.
What is the InChIKey of 2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is TVEGJGVHFQWGHY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N4S/c1-12-18-10-13(22-12)11-21-9-5-8-16(21)17-19-14-6-3-4-7-15(14)20(17)2/h10,16H,3-9,11H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 129475472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).