2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide

C13H12N6S — CID 137314301

IUPAC2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(/C(N)=N/[H])s3)[nH]c2c1
InChIInChI=1S/C13H12N6S/c14-11(15)6-1-2-7-8(5-6)19-13(18-7)10-4-3-9(20-10)12(16)17/h1-5H,(H3,14,15)(H3,16,17)(H,18,19)
InChIKeyQNUQCBZJCZGOAX-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.86
Rot. Bonds3

About 2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide

2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide (PubChem CID 137314301) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide
PubChem CID137314301
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(/C(N)=N/[H])s3)[nH]c2c1
InChIInChI=1S/C13H12N6S/c14-11(15)6-1-2-7-8(5-6)19-13(18-7)10-4-3-9(20-10)12(16)17/h1-5H,(H3,14,15)(H3,16,17)(H,18,19)
InChIKeyQNUQCBZJCZGOAX-UHFFFAOYSA-N
XLogP1.86
TPSA128.42 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049
2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
CID 15435186
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)selenophen-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 146014497
2-[5-[2-[4-[6-(1-aminoethenyl)-1H-benzimidazol-2-yl]phenyl]ethyl]thiophen-2-yl]-3H-benzimidazole-5-carboximidamide
CID 58856207
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-3H-benzimidazole-5-carboximidamide;ethanol
CID 139912797
2-[4-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]methyl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 10227902
2-[2-(4-carbamimidoylphenyl)-1H-imidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 122219176
2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 11990527
2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide
CID 153286644
2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide
CID 22125515
2-(2-hydroxy-3-methylphenyl)-3H-benzimidazole-5-carboximidamide
CID 135501618
2-[(E)-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 6918212

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide (CID 137314301) is 2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccc(/C(N)=N/[H])s3)[nH]c2c1.
What is the InChIKey of 2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is QNUQCBZJCZGOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c14-11(15)6-1-2-7-8(5-6)19-13(18-7)10-4-3-9(20-10)12(16)17/h1-5H,(H3,14,15)(H3,16,17)(H,18,19).
What are the key properties of 2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide?
2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 284.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 137314301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).