[2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride

C27H30Cl2N4O2S — CID 24838936

IUPAC[2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride
SMILESCl.Cl.O.O=C(c1cccs1)c1c(-c2ccccc2)nc2n(CCN3CCCCC3)c3ccccc3n12
InChIInChI=1S/C27H26N4OS.2ClH.H2O/c32-26(23-14-9-19-33-23)25-24(20-10-3-1-4-11-20)28-27-30(18-17-29-15-7-2-8-16-29)21-12-5-6-13-22(21)31(25)27;;;/h1,3-6,9-14,19H,2,7-8,15-18H2;2*1H;1H2
InChIKeyWLENLOVEEPTCIE-UHFFFAOYSA-N
MW545.54 g/mol
LogP5.75
Rot. Bonds6

About [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride

[2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride (PubChem CID 24838936) has the molecular formula C27H30Cl2N4O2S and a molecular weight of 545.54 g/mol. Its IUPAC name is [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride.

Molecular Properties

Compound Name[2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride
PubChem CID24838936
Molecular FormulaC27H30Cl2N4O2S
Molecular Weight545.54 g/mol
Exact Mass544.15
IUPAC Name[2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride
SMILESCl.Cl.O.O=C(c1cccs1)c1c(-c2ccccc2)nc2n(CCN3CCCCC3)c3ccccc3n12
InChIInChI=1S/C27H26N4OS.2ClH.H2O/c32-26(23-14-9-19-33-23)25-24(20-10-3-1-4-11-20)28-27-30(18-17-29-15-7-2-8-16-29)21-12-5-6-13-22(21)31(25)27;;;/h1,3-6,9-14,19H,2,7-8,15-18H2;2*1H;1H2
InChIKeyWLENLOVEEPTCIE-UHFFFAOYSA-N
XLogP5.75
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.54
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride 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

Methanone, [5-(1-methyl-1H-benzimidazol-2-yl)-2-thienyl]phenyl-
CID 874018
3-[2-[2-[2,5-Dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile
CID 2998968
Imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone
CID 14067627
1-(4-Benzoylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]benzothiazol-2-ylethane-1,2-dione
CID 155519442
[4-[2-(Diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone
CID 164624181
[4-[2-(Diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-(4-phenylphenyl)methanone
CID 164624742
[5-[3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 127049057
9H-Imidazo(1,2-a)benzimidazole, 9-(2-(diethylamino)ethyl)-3-(methylcarbonyl)-2-phenyl-, dihydrochloride
CID 218996
1-Propanone, 3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-1-(2-thienyl)-, (Z)-2-butenedioate (1:2)
CID 6446126
{9-[2-(diethylamino)ethyl]-2-methyl-9H-imidazo[1,2-a]benzimidazol-3-yl}(2-thienyl)methanone dihydrobromide
CID 1097861
(E)-1-[1-[2-oxo-2-(p-tolyl)ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one
CID 5471214
(E)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one
CID 5471215

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride?
The IUPAC name of [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride (CID 24838936) is [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride.
What is the SMILES notation for [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride?
The canonical SMILES for [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride is Cl.Cl.O.O=C(c1cccs1)c1c(-c2ccccc2)nc2n(CCN3CCCCC3)c3ccccc3n12.
What is the InChIKey of [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride?
The InChIKey is WLENLOVEEPTCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4OS.2ClH.H2O/c32-26(23-14-9-19-33-23)25-24(20-10-3-1-4-11-20)28-27-30(18-17-29-15-7-2-8-16-29)21-12-5-6-13-22(21)31(25)27;;;/h1,3-6,9-14,19H,2,7-8,15-18H2;2*1H;1H2.
What are the key properties of [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride?
[2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride has a molecular weight of 545.54 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride is sourced from PubChem (CID 24838936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).