(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

C20H21ClN4OS — CID 90560726

IUPAC(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C20H21ClN4OS/c21-18-7-6-17(27-18)20(26)25-14-11-23(12-15-25)10-13-24-9-8-22-19(24)16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyCXBWBINFQMOIJW-UHFFFAOYSA-N
MW400.94 g/mol
LogP3.72
Rot. Bonds5

About (5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 90560726) has the molecular formula C20H21ClN4OS and a molecular weight of 400.94 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID90560726
Molecular FormulaC20H21ClN4OS
Molecular Weight400.94 g/mol
Exact Mass400.11
IUPAC Name(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C20H21ClN4OS/c21-18-7-6-17(27-18)20(26)25-14-11-23(12-15-25)10-13-24-9-8-22-19(24)16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyCXBWBINFQMOIJW-UHFFFAOYSA-N
XLogP3.72
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.94
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 90560712
(5-chlorothiophen-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907369
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 90560710
4-chloro-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]butan-1-one
CID 90560596
methyl 4-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzoate
CID 90560568
2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
[4-(dimethylamino)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560717
(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560617
(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560607
[4-(imidazol-1-ylmethyl)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560553
3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43521993

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 90560726) is (5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCN(CCn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is CXBWBINFQMOIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4OS/c21-18-7-6-17(27-18)20(26)25-14-11-23(12-15-25)10-13-24-9-8-22-19(24)16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 400.94 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90560726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).