2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

C16H14Cl2N2S — CID 5087777

IUPAC2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESClc1ccc(Cl)c(Cc2cn3c4c(nc3s2)CCCC4)c1
InChIInChI=1S/C16H14Cl2N2S/c17-11-5-6-13(18)10(7-11)8-12-9-20-15-4-2-1-3-14(15)19-16(20)21-12/h5-7,9H,1-4,8H2
InChIKeyCSIKJCQOEAQIHM-UHFFFAOYSA-N
MW337.28 g/mol
LogP5.17
Rot. Bonds2

About 2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 5087777) has the molecular formula C16H14Cl2N2S and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID5087777
Molecular FormulaC16H14Cl2N2S
Molecular Weight337.28 g/mol
Exact Mass336.03
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESClc1ccc(Cl)c(Cc2cn3c4c(nc3s2)CCCC4)c1
InChIInChI=1S/C16H14Cl2N2S/c17-11-5-6-13(18)10(7-11)8-12-9-20-15-4-2-1-3-14(15)19-16(20)21-12/h5-7,9H,1-4,8H2
InChIKeyCSIKJCQOEAQIHM-UHFFFAOYSA-N
XLogP5.17
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 5087777) is 2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is Clc1ccc(Cl)c(Cc2cn3c4c(nc3s2)CCCC4)c1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is CSIKJCQOEAQIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2S/c17-11-5-6-13(18)10(7-11)8-12-9-20-15-4-2-1-3-14(15)19-16(20)21-12/h5-7,9H,1-4,8H2.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 337.28 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 5087777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).