(4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine

C11H16N4O — CID 115059572

IUPAC(4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine
SMILESCOc1cccc2c1nc(NN)n2C(C)C
InChIInChI=1S/C11H16N4O/c1-7(2)15-8-5-4-6-9(16-3)10(8)13-11(15)14-12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyPLASLCJTXBWEAD-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.91
Rot. Bonds3

About (4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine

(4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine (PubChem CID 115059572) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine.

Molecular Properties

Compound Name(4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine
PubChem CID115059572
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine
SMILESCOc1cccc2c1nc(NN)n2C(C)C
InChIInChI=1S/C11H16N4O/c1-7(2)15-8-5-4-6-9(16-3)10(8)13-11(15)14-12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyPLASLCJTXBWEAD-UHFFFAOYSA-N
XLogP1.91
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059537
1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
CID 113393056
2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]propanamide
CID 113393109
[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine
CID 35754947
2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]-3-methylbutanamide
CID 106346422
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
CID 18316636
4-methoxy-1-methylbenzimidazole-2-carbaldehyde
CID 82404130
2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole
CID 113393137
4-methoxy-N-(4-propan-2-ylphenyl)-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-2-amine
CID 118318579
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine?
The IUPAC name of (4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine (CID 115059572) is (4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine.
What is the SMILES notation for (4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine?
The canonical SMILES for (4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine is COc1cccc2c1nc(NN)n2C(C)C.
What is the InChIKey of (4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine?
The InChIKey is PLASLCJTXBWEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(2)15-8-5-4-6-9(16-3)10(8)13-11(15)14-12/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of (4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine?
(4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine has a molecular weight of 220.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propan-2-ylbenzimidazol-2-yl)hydrazine is sourced from PubChem (CID 115059572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).