2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole

C21H15N3OS — CID 139291646

IUPAC2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc3ccccc3s2)c(OCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H15N3OS/c1-5-11-18(25-13-20-22-15-8-2-3-9-16(15)23-20)14(7-1)21-24-17-10-4-6-12-19(17)26-21/h1-12H,13H2,(H,22,23)
InChIKeyIAWKOPXJSPPBPA-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.42
Rot. Bonds4

About 2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole

2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole (PubChem CID 139291646) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole
PubChem CID139291646
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Name2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc3ccccc3s2)c(OCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H15N3OS/c1-5-11-18(25-13-20-22-15-8-2-3-9-16(15)23-20)14(7-1)21-24-17-10-4-6-12-19(17)26-21/h1-12H,13H2,(H,22,23)
InChIKeyIAWKOPXJSPPBPA-UHFFFAOYSA-N
XLogP5.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-({[2-(1H-1,3-benzodiazol-2-ylmethoxy)phenyl]methyl}amino)-1-(4-bromothiophen-2-yl)ethan-1-ol
CID 23647946
4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole
CID 44530467
5-(1H-benzimidazol-2-yl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole
CID 6089564
2-[(E)-1-(1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)ethenyl]-1,3-benzothiazole
CID 6263369
2-(5-(4-Isopropoxyphenyl)thiophen-2-yl)-1h-benzo[d]imidazole
CID 129852272
5-methoxy-2-(6-methyl-1H-benzimidazol-2-yl)-1,3-benzothiazole
CID 137641265
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-6-ethoxy-1,3-benzothiazole
CID 716428
2-(((3-(o-tolyloxy)propyl)thio)methyl)-1H-benzo[d]imidazole
CID 2141575
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 1087431
1-Phenoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 138978660
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-fluorophenoxy)acetamide
CID 2550179
2-[(1S)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,3-thiazole
CID 98042191

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole (CID 139291646) is 2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole is c1ccc(-c2nc3ccccc3s2)c(OCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole?
The InChIKey is IAWKOPXJSPPBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c1-5-11-18(25-13-20-22-15-8-2-3-9-16(15)23-20)14(7-1)21-24-17-10-4-6-12-19(17)26-21/h1-12H,13H2,(H,22,23).
What are the key properties of 2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole?
2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole has a molecular weight of 357.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-ylmethoxy)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 139291646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).