[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

C23H22N4O2S — CID 51032954

IUPAC[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)N1CCOCC1
InChIInChI=1S/C23H22N4O2S/c1-16-20(23(28)26-11-13-29-14-12-26)30-22(24-16)21-25-18-9-5-6-10-19(18)27(21)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3
InChIKeyVTVZILBDEWPGLZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.99
Rot. Bonds4

About [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 51032954) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID51032954
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)N1CCOCC1
InChIInChI=1S/C23H22N4O2S/c1-16-20(23(28)26-11-13-29-14-12-26)30-22(24-16)21-25-18-9-5-6-10-19(18)27(21)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3
InChIKeyVTVZILBDEWPGLZ-UHFFFAOYSA-N
XLogP3.99
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (CID 51032954) is [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is Cc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)N1CCOCC1.
What is the InChIKey of [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is VTVZILBDEWPGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-16-20(23(28)26-11-13-29-14-12-26)30-22(24-16)21-25-18-9-5-6-10-19(18)27(21)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3.
What are the key properties of [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
[2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 418.52 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51032954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).