4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole

C23H25N5OS — CID 3937065

IUPAC4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole
SMILESCCOc1ccccc1N1CCN(Cn2c(-c3cscn3)nc3ccccc32)CC1
InChIInChI=1S/C23H25N5OS/c1-2-29-22-10-6-5-9-21(22)27-13-11-26(12-14-27)17-28-20-8-4-3-7-18(20)25-23(28)19-15-30-16-24-19/h3-10,15-16H,2,11-14,17H2,1H3
InChIKeyDFDOHZCSEGQSCJ-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.34
Rot. Bonds6

About 4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole

4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole (PubChem CID 3937065) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole
PubChem CID3937065
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole
SMILESCCOc1ccccc1N1CCN(Cn2c(-c3cscn3)nc3ccccc32)CC1
InChIInChI=1S/C23H25N5OS/c1-2-29-22-10-6-5-9-21(22)27-13-11-26(12-14-27)17-28-20-8-4-3-7-18(20)25-23(28)19-15-30-16-24-19/h3-10,15-16H,2,11-14,17H2,1H3
InChIKeyDFDOHZCSEGQSCJ-UHFFFAOYSA-N
XLogP4.34
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 17434138
2-[4-(2-ethoxyphenyl)piperazin-1-yl]quinoxaline
CID 33370380
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide
CID 24514973
(2S)-1,1,1-trifluoro-2-methyl-3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propan-2-ol
CID 124734038
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 17436853
5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
CID 67918642
1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 40808983
1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 11425053
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione
CID 2090591
4-[[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809646
N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole (CID 3937065) is 4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole is CCOc1ccccc1N1CCN(Cn2c(-c3cscn3)nc3ccccc32)CC1.
What is the InChIKey of 4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is DFDOHZCSEGQSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-2-29-22-10-6-5-9-21(22)27-13-11-26(12-14-27)17-28-20-8-4-3-7-18(20)25-23(28)19-15-30-16-24-19/h3-10,15-16H,2,11-14,17H2,1H3.
What are the key properties of 4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole?
4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 419.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 3937065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).