1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc

C17H15N8Zn- — CID 87650974

IUPAC1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc
SMILES[H]/N=C(\N)c1ccc2c(c1)ncn2[CH-]n1cnc2cc(/C(N)=N/[H])ccc21.[Zn]
InChIInChI=1S/C17H15N8.Zn/c18-16(19)10-1-3-14-12(5-10)22-7-24(14)9-25-8-23-13-6-11(17(20)21)2-4-15(13)25;/h1-9H,(H3,18,19)(H3,20,21);/q-1;
InChIKeyFIWYWOVQTFZMPK-UHFFFAOYSA-N
MW396.75 g/mol
LogP1.47
Rot. Bonds4

About 1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc

1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc (PubChem CID 87650974) has the molecular formula C17H15N8Zn- and a molecular weight of 396.75 g/mol. Its IUPAC name is 1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc.

Molecular Properties

Compound Name1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc
PubChem CID87650974
Molecular FormulaC17H15N8Zn-
Molecular Weight396.75 g/mol
Exact Mass395.07
IUPAC Name1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc
SMILES[H]/N=C(\N)c1ccc2c(c1)ncn2[CH-]n1cnc2cc(/C(N)=N/[H])ccc21.[Zn]
InChIInChI=1S/C17H15N8.Zn/c18-16(19)10-1-3-14-12(5-10)22-7-24(14)9-25-8-23-13-6-11(17(20)21)2-4-15(13)25;/h1-9H,(H3,18,19)(H3,20,21);/q-1;
InChIKeyFIWYWOVQTFZMPK-UHFFFAOYSA-N
XLogP1.47
TPSA135.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.75
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-ylbenzimidazole-5-carboximidamide
CID 175132027
2,1,3-benzoxadiazole-5-carboximidamide
CID 140791723
3-bromo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597271
4-(benzimidazol-1-ylmethyl)-3-chlorobenzenecarboximidamide
CID 102668035
1-nitroimidazo[1,5-a]pyridine-6-carboximidamide
CID 83882201
6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide
CID 71745309
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
CID 24694539
3-(benzimidazol-1-ylmethyl)benzenecarboximidamide;trihydrochloride
CID 47002397
2-(5-butyl-2-pyridinyl)-1-methylbenzimidazole-5-carboximidamide
CID 22125551
2-(trifluoromethyl)pyridine-4-carboximidamide
CID 119009176
[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
CID 83873033
4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide
CID 102026982

Frequently Asked Questions

What is the IUPAC name of 1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc?
The IUPAC name of 1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc (CID 87650974) is 1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc.
What is the SMILES notation for 1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc?
The canonical SMILES for 1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc is [H]/N=C(\N)c1ccc2c(c1)ncn2[CH-]n1cnc2cc(/C(N)=N/[H])ccc21.[Zn].
What is the InChIKey of 1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc?
The InChIKey is FIWYWOVQTFZMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N8.Zn/c18-16(19)10-1-3-14-12(5-10)22-7-24(14)9-25-8-23-13-6-11(17(20)21)2-4-15(13)25;/h1-9H,(H3,18,19)(H3,20,21);/q-1;.
What are the key properties of 1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc?
1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc has a molecular weight of 396.75 g/mol, XLogP of 1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-carbamimidoylbenzimidazol-1-yl)methyl]benzimidazole-5-carboximidamide;zinc is sourced from PubChem (CID 87650974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).