3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride

C20H26Cl2N4S2 — CID 162532376

IUPAC3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESC1=C(CSC2=N[C@@H]3CCCC[C@H]3N2)N2CC(Cc3ccccc3)N=C2S1.Cl.Cl
InChIInChI=1S/C20H24N4S2.2ClH/c1-2-6-14(7-3-1)10-15-11-24-16(13-26-20(24)21-15)12-25-19-22-17-8-4-5-9-18(17)23-19;;/h1-3,6-7,13,15,17-18H,4-5,8-12H2,(H,22,23);2*1H/t15?,17-,18-;;/m1../s1
InChIKeyHNUNWJAMRXALOX-PYQYEIPKSA-N
MW457.50 g/mol
LogP4.70
Rot. Bonds4

About 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride

3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride (PubChem CID 162532376) has the molecular formula C20H26Cl2N4S2 and a molecular weight of 457.50 g/mol. Its IUPAC name is 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride.

Molecular Properties

Compound Name3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride
PubChem CID162532376
Molecular FormulaC20H26Cl2N4S2
Molecular Weight457.50 g/mol
Exact Mass456.10
IUPAC Name3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESC1=C(CSC2=N[C@@H]3CCCC[C@H]3N2)N2CC(Cc3ccccc3)N=C2S1.Cl.Cl
InChIInChI=1S/C20H24N4S2.2ClH/c1-2-6-14(7-3-1)10-15-11-24-16(13-26-20(24)21-15)12-25-19-22-17-8-4-5-9-18(17)23-19;;/h1-3,6-7,13,15,17-18H,4-5,8-12H2,(H,22,23);2*1H/t15?,17-,18-;;/m1../s1
InChIKeyHNUNWJAMRXALOX-PYQYEIPKSA-N
XLogP4.70
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;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

6-benzyl-3-[(4,4-dimethyl-1H-quinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride
CID 169005267
3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 155167094
6-benzyl-3-(chloromethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
CID 155166793
(4aS,8aR)-1-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 162532337
2-[(3-fluorophenyl)methylsulfanyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;hydrochloride
CID 126769954
2-(naphthalen-1-ylmethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;hydrochloride
CID 17467161
2-[(4-methylphenyl)methylsulfanyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 17450882
(2S,6R)-11-[[(3aS,6aR)-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-yl]sulfanylmethyl]-4-oxa-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-7,10-diene;dihydrochloride
CID 162532352
(2S,6R)-11-[[(3aR,6aR)-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-yl]sulfanylmethyl]-4-oxa-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-7,10-diene
CID 162532343
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 17489040
methyl 4-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]benzoate
CID 41088460
(3aS,7aS)-2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 41187397

Frequently Asked Questions

What is the IUPAC name of 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride?
The IUPAC name of 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride (CID 162532376) is 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride.
What is the SMILES notation for 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride?
The canonical SMILES for 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride is C1=C(CSC2=N[C@@H]3CCCC[C@H]3N2)N2CC(Cc3ccccc3)N=C2S1.Cl.Cl.
What is the InChIKey of 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride?
The InChIKey is HNUNWJAMRXALOX-PYQYEIPKSA-N. The full InChI is InChI=1S/C20H24N4S2.2ClH/c1-2-6-14(7-3-1)10-15-11-24-16(13-26-20(24)21-15)12-25-19-22-17-8-4-5-9-18(17)23-19;;/h1-3,6-7,13,15,17-18H,4-5,8-12H2,(H,22,23);2*1H/t15?,17-,18-;;/m1../s1.
What are the key properties of 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride?
3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride has a molecular weight of 457.50 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride is sourced from PubChem (CID 162532376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).