3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one

C26H19N5O2S — CID 155805186

IUPAC3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one
SMILESCc1ccc2c(c1)=C(c1s/c(=N\c3ccccc3)n(Cc3nc4ccccc4[nH]3)c1O)C(=O)N=2
InChIInChI=1S/C26H19N5O2S/c1-15-11-12-18-17(13-15)22(24(32)30-18)23-25(33)31(26(34-23)27-16-7-3-2-4-8-16)14-21-28-19-9-5-6-10-20(19)29-21/h2-13,33H,14H2,1H3,(H,28,29)/b27-26-
InChIKeyBLEHCBZDRAWOFD-RQZHXJHFSA-N
MW465.54 g/mol
LogP3.08
Rot. Bonds4

About 3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one

3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one (PubChem CID 155805186) has the molecular formula C26H19N5O2S and a molecular weight of 465.54 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one
PubChem CID155805186
Molecular FormulaC26H19N5O2S
Molecular Weight465.54 g/mol
Exact Mass465.13
IUPAC Name3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one
SMILESCc1ccc2c(c1)=C(c1s/c(=N\c3ccccc3)n(Cc3nc4ccccc4[nH]3)c1O)C(=O)N=2
InChIInChI=1S/C26H19N5O2S/c1-15-11-12-18-17(13-15)22(24(32)30-18)23-25(33)31(26(34-23)27-16-7-3-2-4-8-16)14-21-28-19-9-5-6-10-20(19)29-21/h2-13,33H,14H2,1H3,(H,28,29)/b27-26-
InChIKeyBLEHCBZDRAWOFD-RQZHXJHFSA-N
XLogP3.08
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one?
The IUPAC name of 3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one (CID 155805186) is 3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one.
What is the SMILES notation for 3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one?
The canonical SMILES for 3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one is Cc1ccc2c(c1)=C(c1s/c(=N\c3ccccc3)n(Cc3nc4ccccc4[nH]3)c1O)C(=O)N=2.
What is the InChIKey of 3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one?
The InChIKey is BLEHCBZDRAWOFD-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H19N5O2S/c1-15-11-12-18-17(13-15)22(24(32)30-18)23-25(33)31(26(34-23)27-16-7-3-2-4-8-16)14-21-28-19-9-5-6-10-20(19)29-21/h2-13,33H,14H2,1H3,(H,28,29)/b27-26-.
What are the key properties of 3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one?
3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one has a molecular weight of 465.54 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]-5-methylindol-2-one is sourced from PubChem (CID 155805186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).