[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol

C12H11N3OS — CID 116889071

IUPAC[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol
SMILESCn1cnc2cc(-c3nc(CO)cs3)ccc21
InChIInChI=1S/C12H11N3OS/c1-15-7-13-10-4-8(2-3-11(10)15)12-14-9(5-16)6-17-12/h2-4,6-7,16H,5H2,1H3
InChIKeyKINXMTGECWEASU-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.19
Rot. Bonds2

About [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol

[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 116889071) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol
PubChem CID116889071
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol
SMILESCn1cnc2cc(-c3nc(CO)cs3)ccc21
InChIInChI=1S/C12H11N3OS/c1-15-7-13-10-4-8(2-3-11(10)15)12-14-9(5-16)6-17-12/h2-4,6-7,16H,5H2,1H3
InChIKeyKINXMTGECWEASU-UHFFFAOYSA-N
XLogP2.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889589
[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 107504757
2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole
CID 146331604
N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine
CID 116885858
4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566814
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 95991204
3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde
CID 155289704
1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea
CID 118791530
[2-(3-chloro-5-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 90982425

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol (CID 116889071) is [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol is Cn1cnc2cc(-c3nc(CO)cs3)ccc21.
What is the InChIKey of [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is KINXMTGECWEASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-15-7-13-10-4-8(2-3-11(10)15)12-14-9(5-16)6-17-12/h2-4,6-7,16H,5H2,1H3.
What are the key properties of [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol?
[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 245.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 116889071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).