1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole

C26H26N4S — CID 11546387

IUPAC1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2nc3ccccc3n12
InChIInChI=1S/C26H26N4S/c1-17-6-5-14-29(17)15-13-19-9-11-21-20(16-19)10-12-23(27-21)25-18(2)30-24-8-4-3-7-22(24)28-26(30)31-25/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3/t17-/m1/s1
InChIKeyJHZTZJQZFCCJBJ-QGZVFWFLSA-N
MW426.59 g/mol
LogP6.10
Rot. Bonds4

About 1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole

1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 11546387) has the molecular formula C26H26N4S and a molecular weight of 426.59 g/mol. Its IUPAC name is 1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID11546387
Molecular FormulaC26H26N4S
Molecular Weight426.59 g/mol
Exact Mass426.19
IUPAC Name1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2nc3ccccc3n12
InChIInChI=1S/C26H26N4S/c1-17-6-5-14-29(17)15-13-19-9-11-21-20(16-19)10-12-23(27-21)25-18(2)30-24-8-4-3-7-22(24)28-26(30)31-25/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3/t17-/m1/s1
InChIKeyJHZTZJQZFCCJBJ-QGZVFWFLSA-N
XLogP6.10
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole (CID 11546387) is 1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole is Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2nc3ccccc3n12.
What is the InChIKey of 1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is JHZTZJQZFCCJBJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H26N4S/c1-17-6-5-14-29(17)15-13-19-9-11-21-20(16-19)10-12-23(27-21)25-18(2)30-24-8-4-3-7-22(24)28-26(30)31-25/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole?
1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 426.59 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 11546387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).