N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine

C8H10N4O — CID 163537798

IUPACN-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
SMILESNC(NO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C8H10N4O/c9-8(12-13)5-1-2-6-7(3-5)11-4-10-6/h1-4,8,12-13H,9H2,(H,10,11)
InChIKeyDYMOSCSJKSUUDE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.50
Rot. Bonds2

About N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine

N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine (PubChem CID 163537798) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
PubChem CID163537798
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
SMILESNC(NO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C8H10N4O/c9-8(12-13)5-1-2-6-7(3-5)11-4-10-6/h1-4,8,12-13H,9H2,(H,10,11)
InChIKeyDYMOSCSJKSUUDE-UHFFFAOYSA-N
XLogP0.50
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 96741805
2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol
CID 116942422
6-pentan-3-yl-1H-benzimidazole
CID 134401277
2-(3H-benzimidazol-5-yl)-2-(diaminomethylideneamino)acetic acid
CID 174481598
1,3-bis(3H-benzimidazol-5-yl)-1,3-dibromopropan-2-one
CID 22163885
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
2-[amino(3H-benzimidazol-5-yl)methyl]-3-methylbutanoic acid
CID 116945219
2-(3H-benzimidazol-5-yl)-2-chloroacetic acid
CID 83533661
4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116937177
5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one
CID 116910664

Frequently Asked Questions

What is the IUPAC name of N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine?
The IUPAC name of N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine (CID 163537798) is N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine is NC(NO)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine?
The InChIKey is DYMOSCSJKSUUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-8(12-13)5-1-2-6-7(3-5)11-4-10-6/h1-4,8,12-13H,9H2,(H,10,11).
What are the key properties of N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine?
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine has a molecular weight of 178.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 163537798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).