[5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol

C15H12N4OS — CID 107801521

IUPAC[5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol
SMILESNc1ccc2c(c1)nc(CO)n2-c1ccc2ncsc2c1
InChIInChI=1S/C15H12N4OS/c16-9-1-4-13-12(5-9)18-15(7-20)19(13)10-2-3-11-14(6-10)21-8-17-11/h1-6,8,20H,7,16H2
InChIKeyJGVLCZXPBGYVHN-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.71
Rot. Bonds2

About [5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol

[5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol (PubChem CID 107801521) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is [5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol
PubChem CID107801521
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name[5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol
SMILESNc1ccc2c(c1)nc(CO)n2-c1ccc2ncsc2c1
InChIInChI=1S/C15H12N4OS/c16-9-1-4-13-12(5-9)18-15(7-20)19(13)10-2-3-11-14(6-10)21-8-17-11/h1-6,8,20H,7,16H2
InChIKeyJGVLCZXPBGYVHN-UHFFFAOYSA-N
XLogP2.71
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol
CID 62594707
[5-amino-1-(4-iodophenyl)benzimidazol-2-yl]methanol
CID 62595630
[5-amino-1-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-yl]methanol
CID 65499669
1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine
CID 107805987
[5-amino-1-(2,5-dichlorophenyl)benzimidazol-2-yl]methanol
CID 62594709
[5-amino-1-(4-bromo-2-ethylphenyl)benzimidazol-2-yl]methanol
CID 81289490
[5-amino-1-(2,5-difluoro-4-methylphenyl)benzimidazol-2-yl]methanol
CID 103587462
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
[5-amino-1-(dimethylamino)benzimidazol-2-yl]methanol
CID 83024491
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
3-(1,3-benzothiazol-6-yl)imidazo[4,5-b]pyridin-2-amine
CID 107805988
3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine
CID 107805986

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol (CID 107801521) is [5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol is Nc1ccc2c(c1)nc(CO)n2-c1ccc2ncsc2c1.
What is the InChIKey of [5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol?
The InChIKey is JGVLCZXPBGYVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-9-1-4-13-12(5-9)18-15(7-20)19(13)10-2-3-11-14(6-10)21-8-17-11/h1-6,8,20H,7,16H2.
What are the key properties of [5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol?
[5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol has a molecular weight of 296.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 107801521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).