copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid

C12H16CuN4O4+2 — CID 6394717

IUPACcopper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid
SMILESNCc1nc2ccccc2[nH]1.O=C(O)CNCC(=O)O.[Cu+2]
InChIInChI=1S/C8H9N3.C4H7NO4.Cu/c9-5-8-10-6-3-1-2-4-7(6)11-8;6-3(7)1-5-2-4(8)9;/h1-4H,5,9H2,(H,10,11);5H,1-2H2,(H,6,7)(H,8,9);/q;;+2
InChIKeyHTSMKHYWQOZEGJ-UHFFFAOYSA-N
MW343.83 g/mol
LogP-0.24
Rot. Bonds5

About copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid

copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid (PubChem CID 6394717) has the molecular formula C12H16CuN4O4+2 and a molecular weight of 343.83 g/mol. Its IUPAC name is copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid.

Molecular Properties

Compound Namecopper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid
PubChem CID6394717
Molecular FormulaC12H16CuN4O4+2
Molecular Weight343.83 g/mol
Exact Mass343.05
IUPAC Namecopper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid
SMILESNCc1nc2ccccc2[nH]1.O=C(O)CNCC(=O)O.[Cu+2]
InChIInChI=1S/C8H9N3.C4H7NO4.Cu/c9-5-8-10-6-3-1-2-4-7(6)11-8;6-3(7)1-5-2-4(8)9;/h1-4H,5,9H2,(H,10,11);5H,1-2H2,(H,6,7)(H,8,9);/q;;+2
InChIKeyHTSMKHYWQOZEGJ-UHFFFAOYSA-N
XLogP-0.24
TPSA141.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 5-0.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1H-benzimidazol-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid
CID 44408298
1H-Benzimidazole-2-carboxylic acid hydrate
CID 18525703
2-(((1H-Benzo[d]imidazol-2-yl)methyl)(methyl)amino)acetic acid hydrochloride
CID 11834460
[(1h-Benzoimidazole-2-carbonyl)-amino]-acetic acid
CID 44469096
[(1H-Benzoimidazol-2-ylmethyl)-methyl-amino]-acetic acid
CID 1132960
[(1H-Benzoimidazol-2-ylmethyl)amino]acetic acid
CID 1081236
N-(1H-Benzimidazol-2-ylmethyl)-N-(carboxymethyl)glycine
CID 12987600
[(1H-Benzoimidazol-2-ylmethyl)-amino]-acetic acid hydrochloride
CID 45074886
Methyl 2-((1h-benzimidazol-2-yl)methylamino)acetate
CID 134693314
trans-bis(1H-benzimidazole-2-carboxylato-kappa^2^N^3^,O)bis(ethanol-kappaO)cadmium
CID 139061214
trans-bis(1H-benzimidazole-kappaN^3^)bis(1H-benzimidazole-2-carboxylato-kappa^2^N^3^,O)nickel(II)
CID 139061215
Bis(2-aminomethyl-1H-benzimidazole-kappa^2^N^2^,N^3^)bis(nitrato-kappaO)copper(II)
CID 139083831

Frequently Asked Questions

What is the IUPAC name of copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid?
The IUPAC name of copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid (CID 6394717) is copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid.
What is the SMILES notation for copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid?
The canonical SMILES for copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid is NCc1nc2ccccc2[nH]1.O=C(O)CNCC(=O)O.[Cu+2].
What is the InChIKey of copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid?
The InChIKey is HTSMKHYWQOZEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.C4H7NO4.Cu/c9-5-8-10-6-3-1-2-4-7(6)11-8;6-3(7)1-5-2-4(8)9;/h1-4H,5,9H2,(H,10,11);5H,1-2H2,(H,6,7)(H,8,9);/q;;+2.
What are the key properties of copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid?
copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid has a molecular weight of 343.83 g/mol, XLogP of -0.24, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid is sourced from PubChem (CID 6394717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).