[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol

C14H15N3OS — CID 110885700

IUPAC[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol
SMILESCCc1nc(Cn2c(CO)nc3ccccc32)cs1
InChIInChI=1S/C14H15N3OS/c1-2-14-15-10(9-19-14)7-17-12-6-4-3-5-11(12)16-13(17)8-18/h3-6,9,18H,2,7-8H2,1H3
InChIKeyJECIKRDSVYTVIZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.60
Rot. Bonds4

About [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol

[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol (PubChem CID 110885700) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol
PubChem CID110885700
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol
SMILESCCc1nc(Cn2c(CO)nc3ccccc32)cs1
InChIInChI=1S/C14H15N3OS/c1-2-14-15-10(9-19-14)7-17-12-6-4-3-5-11(12)16-13(17)8-18/h3-6,9,18H,2,7-8H2,1H3
InChIKeyJECIKRDSVYTVIZ-UHFFFAOYSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-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

1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
CID 63106530
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
2-[(2-butylbenzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 39148045
2-[2-[(2-pentan-3-ylbenzimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 39148080
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
[1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol
CID 112803208
5-[(2-ethylbenzimidazol-1-yl)methyl]pyrazin-2-amine
CID 103057307
2-[[2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 39148106
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005364
[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methanol
CID 16995292
[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol
CID 962459
2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 60508451

Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol (CID 110885700) is [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol is CCc1nc(Cn2c(CO)nc3ccccc32)cs1.
What is the InChIKey of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol?
The InChIKey is JECIKRDSVYTVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-2-14-15-10(9-19-14)7-17-12-6-4-3-5-11(12)16-13(17)8-18/h3-6,9,18H,2,7-8H2,1H3.
What are the key properties of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol?
[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol has a molecular weight of 273.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 110885700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).