copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride

C21H19Cl2CuN5S — CID 139158673

IUPACcopper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride
SMILES[Cl-].[Cl-].[Cu+2].c1csc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H19N5S.2ClH.Cu/c1-2-8-17-16(7-1)22-20(23-17)13-26(12-15-6-5-11-27-15)14-21-24-18-9-3-4-10-19(18)25-21;;;/h1-11H,12-14H2,(H,22,23)(H,24,25);2*1H;/q;;;+2/p-2
InChIKeyGENKMQFKPIQZMB-UHFFFAOYSA-L
MW507.94 g/mol
LogP-1.29
Rot. Bonds6

About copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride

copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride (PubChem CID 139158673) has the molecular formula C21H19Cl2CuN5S and a molecular weight of 507.94 g/mol. Its IUPAC name is copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride.

Molecular Properties

Compound Namecopper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride
PubChem CID139158673
Molecular FormulaC21H19Cl2CuN5S
Molecular Weight507.94 g/mol
Exact Mass506.00
IUPAC Namecopper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride
SMILES[Cl-].[Cl-].[Cu+2].c1csc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H19N5S.2ClH.Cu/c1-2-8-17-16(7-1)22-20(23-17)13-26(12-15-6-5-11-27-15)14-21-24-18-9-3-4-10-19(18)25-21;;;/h1-11H,12-14H2,(H,22,23)(H,24,25);2*1H;/q;;;+2/p-2
InChIKeyGENKMQFKPIQZMB-UHFFFAOYSA-L
XLogP-1.29
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.94
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 66526955
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;dichloromanganese
CID 21107923
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)
CID 91865506
N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 17406287
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide
CID 35385383
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-[3-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]phenyl]ethanamine
CID 172879399
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
CID 81432482
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-(3H-indol-2-yl)methanamine
CID 161048424
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310

Frequently Asked Questions

What is the IUPAC name of copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride?
The IUPAC name of copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride (CID 139158673) is copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride.
What is the SMILES notation for copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride?
The canonical SMILES for copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride is [Cl-].[Cl-].[Cu+2].c1csc(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c1.
What is the InChIKey of copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride?
The InChIKey is GENKMQFKPIQZMB-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H19N5S.2ClH.Cu/c1-2-8-17-16(7-1)22-20(23-17)13-26(12-15-6-5-11-27-15)14-21-24-18-9-3-4-10-19(18)25-21;;;/h1-11H,12-14H2,(H,22,23)(H,24,25);2*1H;/q;;;+2/p-2.
What are the key properties of copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride?
copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride has a molecular weight of 507.94 g/mol, XLogP of -1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride is sourced from PubChem (CID 139158673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).