N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine

C9H11N5 — CID 137249906

IUPACN-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine
SMILESCN(C)/N=N/c1nc2ccccc2[nH]1
InChIInChI=1S/C9H11N5/c1-14(2)13-12-9-10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3,(H,10,11)/b13-12+
InChIKeyXMTAKWBNUPWNLJ-OUKQBFOZSA-N
MW189.22 g/mol
LogP2.12
Rot. Bonds2

About N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine

N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine (PubChem CID 137249906) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine
PubChem CID137249906
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine
SMILESCN(C)/N=N/c1nc2ccccc2[nH]1
InChIInChI=1S/C9H11N5/c1-14(2)13-12-9-10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3,(H,10,11)/b13-12+
InChIKeyXMTAKWBNUPWNLJ-OUKQBFOZSA-N
XLogP2.12
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 175276367
CID 175276367
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
methanamine;2-methyl-1H-benzimidazole
CID 143453689
N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine
CID 23341799
2-methyl-1H-benzimidazole
CID 11984
N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide
CID 137229351
1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene
CID 136666247
N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one
CID 137210107
N,N-dimethyl-1H-benzimidazole-2-sulfonamide
CID 23041875
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride
CID 10440546

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine?
The IUPAC name of N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine (CID 137249906) is N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine?
The canonical SMILES for N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine is CN(C)/N=N/c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine?
The InChIKey is XMTAKWBNUPWNLJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H11N5/c1-14(2)13-12-9-10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3,(H,10,11)/b13-12+.
What are the key properties of N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine?
N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine has a molecular weight of 189.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine is sourced from PubChem (CID 137249906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).