1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole

C18H19ClN2OS — CID 23457675

IUPAC1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole
SMILESCc1ccccc1OC(CCc1ccc(Cl)s1)Cn1ccnc1
InChIInChI=1S/C18H19ClN2OS/c1-14-4-2-3-5-17(14)22-15(12-21-11-10-20-13-21)6-7-16-8-9-18(19)23-16/h2-5,8-11,13,15H,6-7,12H2,1H3
InChIKeyBXTJHCOMAHELAQ-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.99
Rot. Bonds7

About 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole

1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole (PubChem CID 23457675) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole
PubChem CID23457675
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole
SMILESCc1ccccc1OC(CCc1ccc(Cl)s1)Cn1ccnc1
InChIInChI=1S/C18H19ClN2OS/c1-14-4-2-3-5-17(14)22-15(12-21-11-10-20-13-21)6-7-16-8-9-18(19)23-16/h2-5,8-11,13,15H,6-7,12H2,1H3
InChIKeyBXTJHCOMAHELAQ-UHFFFAOYSA-N
XLogP4.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole 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-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole
CID 70506825
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 114140354
1-[4-(4-chlorophenyl)-2-[(2,5-dichlorothiophen-3-yl)methoxy]butyl]imidazole
CID 23457747
1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole
CID 70552342
N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide
CID 70473677
1-[(5-chlorothiophen-2-yl)methyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122893
1-[(5-chlorothiophen-2-yl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-methylurea
CID 94122892
1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole
CID 70552453
(2S)-N-[(2-imidazol-1-ylphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 28574318
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 94199388
2-(5-chlorothiophen-2-yl)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106046477
2-chloro-5-(3-chloro-4-methoxybutyl)thiophene
CID 62320206

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole (CID 23457675) is 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole is Cc1ccccc1OC(CCc1ccc(Cl)s1)Cn1ccnc1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole?
The InChIKey is BXTJHCOMAHELAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-14-4-2-3-5-17(14)22-15(12-21-11-10-20-13-21)6-7-16-8-9-18(19)23-16/h2-5,8-11,13,15H,6-7,12H2,1H3.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole?
1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole has a molecular weight of 346.88 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole is sourced from PubChem (CID 23457675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).