(4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine

C8H9BrN4 — CID 84629932

IUPAC(4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine
SMILESCc1cc(Br)c2nc(NN)[nH]c2c1
InChIInChI=1S/C8H9BrN4/c1-4-2-5(9)7-6(3-4)11-8(12-7)13-10/h2-3H,10H2,1H3,(H2,11,12,13)
InChIKeyUNTBGNJOPGXBBW-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.92
Rot. Bonds1

About (4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine

(4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine (PubChem CID 84629932) has the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol. Its IUPAC name is (4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine.

Molecular Properties

Compound Name(4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine
PubChem CID84629932
Molecular FormulaC8H9BrN4
Molecular Weight241.09 g/mol
Exact Mass240.00
IUPAC Name(4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine
SMILESCc1cc(Br)c2nc(NN)[nH]c2c1
InChIInChI=1S/C8H9BrN4/c1-4-2-5(9)7-6(3-4)11-8(12-7)13-10/h2-3H,10H2,1H3,(H2,11,12,13)
InChIKeyUNTBGNJOPGXBBW-UHFFFAOYSA-N
XLogP1.92
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid
CID 84635509
(4-bromo-1,6-dimethylbenzimidazol-2-yl)hydrazine
CID 84635551
4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole
CID 143269331
2-bromo-6-methyl-1H-benzimidazole-4-carbonitrile
CID 130052815
(8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine
CID 63482066
(1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 82379127
1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 84641537
N-[4-(2-amino-6-methylpyrimidin-4-yl)oxyphenyl]-4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11271559
2,4,6-tribromo-1H-benzimidazole
CID 130864001
2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114560132
(7-bromo-5-methyl-1,3-benzoxazol-2-yl)hydrazine
CID 82231953
2-(7-bromo-2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 83902838

Frequently Asked Questions

What is the IUPAC name of (4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine?
The IUPAC name of (4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine (CID 84629932) is (4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine.
What is the SMILES notation for (4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine?
The canonical SMILES for (4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine is Cc1cc(Br)c2nc(NN)[nH]c2c1.
What is the InChIKey of (4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine?
The InChIKey is UNTBGNJOPGXBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4/c1-4-2-5(9)7-6(3-4)11-8(12-7)13-10/h2-3H,10H2,1H3,(H2,11,12,13).
What are the key properties of (4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine?
(4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine has a molecular weight of 241.09 g/mol, XLogP of 1.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine is sourced from PubChem (CID 84629932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).