(3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol

C10H11ClN2OS — CID 107359083

IUPAC(3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)c1sccc1Cl
InChIInChI=1S/C10H11ClN2OS/c1-2-13-6-12-5-8(13)9(14)10-7(11)3-4-15-10/h3-6,9,14H,2H2,1H3
InChIKeyFTISFDHVYHNKDZ-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.70
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol

(3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol (PubChem CID 107359083) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol
PubChem CID107359083
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name(3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)c1sccc1Cl
InChIInChI=1S/C10H11ClN2OS/c1-2-13-6-12-5-8(13)9(14)10-7(11)3-4-15-10/h3-6,9,14H,2H2,1H3
InChIKeyFTISFDHVYHNKDZ-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethylimidazol-4-yl)-thiophen-2-ylmethanol
CID 66135577
(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135580
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134128
2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 114012562
1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 66134129
(5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135362
1-(3-ethylimidazol-4-yl)-2-methoxyethanol
CID 79566598
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 107360135
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol
CID 107361942
(2,3-difluorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134745
2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134532

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol (CID 107359083) is (3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol is CCn1cncc1C(O)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol?
The InChIKey is FTISFDHVYHNKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-2-13-6-12-5-8(13)9(14)10-7(11)3-4-15-10/h3-6,9,14H,2H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol?
(3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol has a molecular weight of 242.73 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol is sourced from PubChem (CID 107359083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).