1-(2-chloro-4-thiophen-3-ylbutyl)imidazole

C11H13ClN2S — CID 23457744

IUPAC1-(2-chloro-4-thiophen-3-ylbutyl)imidazole
SMILESClC(CCc1ccsc1)Cn1ccnc1
InChIInChI=1S/C11H13ClN2S/c12-11(7-14-5-4-13-9-14)2-1-10-3-6-15-8-10/h3-6,8-9,11H,1-2,7H2
InChIKeyMGARBEJGIYUUTM-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.18
Rot. Bonds5

About 1-(2-chloro-4-thiophen-3-ylbutyl)imidazole

1-(2-chloro-4-thiophen-3-ylbutyl)imidazole (PubChem CID 23457744) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 1-(2-chloro-4-thiophen-3-ylbutyl)imidazole.

Molecular Properties

Compound Name1-(2-chloro-4-thiophen-3-ylbutyl)imidazole
PubChem CID23457744
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name1-(2-chloro-4-thiophen-3-ylbutyl)imidazole
SMILESClC(CCc1ccsc1)Cn1ccnc1
InChIInChI=1S/C11H13ClN2S/c12-11(7-14-5-4-13-9-14)2-1-10-3-6-15-8-10/h3-6,8-9,11H,1-2,7H2
InChIKeyMGARBEJGIYUUTM-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115595871
2-imidazol-1-yl-1-thiophen-3-ylethanamine
CID 130835014
1-(2-chloro-2-thiophen-2-ylethyl)imidazole
CID 19870532
1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole
CID 70553530
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 95127355
1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
1-[4-(4-chlorophenyl)-2-(2,3,6-trichlorophenyl)sulfanylbutyl]imidazole
CID 162180732
1-[3-(4-tert-butylphenyl)sulfanyl-2-chloropropyl]imidazole
CID 23311306
1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole
CID 23457747
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 70740922
1-(2-chloro-2-naphthalen-2-ylethyl)imidazole
CID 12698973
1-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-thiophen-3-ylbutyl)imidazole?
The IUPAC name of 1-(2-chloro-4-thiophen-3-ylbutyl)imidazole (CID 23457744) is 1-(2-chloro-4-thiophen-3-ylbutyl)imidazole.
What is the SMILES notation for 1-(2-chloro-4-thiophen-3-ylbutyl)imidazole?
The canonical SMILES for 1-(2-chloro-4-thiophen-3-ylbutyl)imidazole is ClC(CCc1ccsc1)Cn1ccnc1.
What is the InChIKey of 1-(2-chloro-4-thiophen-3-ylbutyl)imidazole?
The InChIKey is MGARBEJGIYUUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c12-11(7-14-5-4-13-9-14)2-1-10-3-6-15-8-10/h3-6,8-9,11H,1-2,7H2.
What are the key properties of 1-(2-chloro-4-thiophen-3-ylbutyl)imidazole?
1-(2-chloro-4-thiophen-3-ylbutyl)imidazole has a molecular weight of 240.76 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-thiophen-3-ylbutyl)imidazole is sourced from PubChem (CID 23457744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).