1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol

C14H14ClN3OS — CID 107125122

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol
SMILESCCn1c(CC(O)c2ncc(Cl)s2)nc2ccccc21
InChIInChI=1S/C14H14ClN3OS/c1-2-18-10-6-4-3-5-9(10)17-13(18)7-11(19)14-16-8-12(15)20-14/h3-6,8,11,19H,2,7H2,1H3
InChIKeyJNFODVKTARAQQU-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.44
Rot. Bonds4

About 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol

1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol (PubChem CID 107125122) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol
PubChem CID107125122
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol
SMILESCCn1c(CC(O)c2ncc(Cl)s2)nc2ccccc21
InChIInChI=1S/C14H14ClN3OS/c1-2-18-10-6-4-3-5-9(10)17-13(18)7-11(19)14-16-8-12(15)20-14/h3-6,8,11,19H,2,7H2,1H3
InChIKeyJNFODVKTARAQQU-UHFFFAOYSA-N
XLogP3.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
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CID 79754584
2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
CID 115818620
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527844
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanol
CID 79753821
2-(1-ethylbenzimidazol-2-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115818572
2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756272
2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105111618
2-(1-ethylbenzimidazol-2-yl)-1-(3-iodophenyl)ethanol
CID 115818522
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027615
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol (CID 107125122) is 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol is CCn1c(CC(O)c2ncc(Cl)s2)nc2ccccc21.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol?
The InChIKey is JNFODVKTARAQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-2-18-10-6-4-3-5-9(10)17-13(18)7-11(19)14-16-8-12(15)20-14/h3-6,8,11,19H,2,7H2,1H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol?
1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol has a molecular weight of 307.81 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 107125122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).