N'-amino-3H-benzimidazole-5-carboximidamide

C8H9N5 — CID 58433226

IUPACN'-amino-3H-benzimidazole-5-carboximidamide
SMILESN/N=C(\N)c1ccc2nc[nH]c2c1
InChIInChI=1S/C8H9N5/c9-8(13-10)5-1-2-6-7(3-5)12-4-11-6/h1-4H,10H2,(H2,9,13)(H,11,12)
InChIKeyFYRHEESNTCBLLG-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.14
Rot. Bonds1

About N'-amino-3H-benzimidazole-5-carboximidamide

N'-amino-3H-benzimidazole-5-carboximidamide (PubChem CID 58433226) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N'-amino-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound NameN'-amino-3H-benzimidazole-5-carboximidamide
PubChem CID58433226
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN'-amino-3H-benzimidazole-5-carboximidamide
SMILESN/N=C(\N)c1ccc2nc[nH]c2c1
InChIInChI=1S/C8H9N5/c9-8(13-10)5-1-2-6-7(3-5)12-4-11-6/h1-4H,10H2,(H2,9,13)(H,11,12)
InChIKeyFYRHEESNTCBLLG-UHFFFAOYSA-N
XLogP0.14
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(3H-benzimidazol-5-yl)methanone
CID 71332789
N'-isoquinolin-4-yl-3H-benzimidazole-5-carboximidamide
CID 54495337
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid
CID 63913822
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
CID 116921281
1-(3H-benzimidazol-5-yl)-3-chloropropan-1-one
CID 82052582
1-(3H-benzimidazol-5-yl)-3-sulfanylpropan-1-one
CID 116830801
(5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 110463322
3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole
CID 161258178

Frequently Asked Questions

What is the IUPAC name of N'-amino-3H-benzimidazole-5-carboximidamide?
The IUPAC name of N'-amino-3H-benzimidazole-5-carboximidamide (CID 58433226) is N'-amino-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for N'-amino-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for N'-amino-3H-benzimidazole-5-carboximidamide is N/N=C(\N)c1ccc2nc[nH]c2c1.
What is the InChIKey of N'-amino-3H-benzimidazole-5-carboximidamide?
The InChIKey is FYRHEESNTCBLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-8(13-10)5-1-2-6-7(3-5)12-4-11-6/h1-4H,10H2,(H2,9,13)(H,11,12).
What are the key properties of N'-amino-3H-benzimidazole-5-carboximidamide?
N'-amino-3H-benzimidazole-5-carboximidamide has a molecular weight of 175.19 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 58433226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).