2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride

C17H16Cl2N4S — CID 3027343

IUPAC2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc(-n2ccnc2SCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H14N4S.2ClH/c1-2-6-13(7-3-1)21-11-10-18-17(21)22-12-16-19-14-8-4-5-9-15(14)20-16;;/h1-11H,12H2,(H,19,20);2*1H
InChIKeyJQBRWPINCKEVLS-UHFFFAOYSA-N
MW379.32 g/mol
LogP4.88
Rot. Bonds4

About 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride

2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride (PubChem CID 3027343) has the molecular formula C17H16Cl2N4S and a molecular weight of 379.32 g/mol. Its IUPAC name is 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride.

Molecular Properties

Compound Name2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride
PubChem CID3027343
Molecular FormulaC17H16Cl2N4S
Molecular Weight379.32 g/mol
Exact Mass378.05
IUPAC Name2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc(-n2ccnc2SCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H14N4S.2ClH/c1-2-6-13(7-3-1)21-11-10-18-17(21)22-12-16-19-14-8-4-5-9-15(14)20-16;;/h1-11H,12H2,(H,19,20);2*1H
InChIKeyJQBRWPINCKEVLS-UHFFFAOYSA-N
XLogP4.88
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-phenylbenzimidazole;hydrochloride
CID 163329785
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-phenylbenzimidazole
CID 614420
2-(1H-imidazol-2-ylsulfanylmethyl)-1H-benzimidazole
CID 121223242
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
CID 764868
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 1342803
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-benzimidazole
CID 583185
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 1340228
N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline
CID 10828707
2-(1H-benzimidazol-2-ylmethylsulfanyl)pyridine-4-carboxylic acid
CID 61300873
2-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]-1H-benzimidazole
CID 13163511
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 3991552

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride?
The IUPAC name of 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride (CID 3027343) is 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride.
What is the SMILES notation for 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride?
The canonical SMILES for 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride is Cl.Cl.c1ccc(-n2ccnc2SCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride?
The InChIKey is JQBRWPINCKEVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S.2ClH/c1-2-6-13(7-3-1)21-11-10-18-17(21)22-12-16-19-14-8-4-5-9-15(14)20-16;;/h1-11H,12H2,(H,19,20);2*1H.
What are the key properties of 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride?
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride has a molecular weight of 379.32 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride is sourced from PubChem (CID 3027343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).