[1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine

C14H12BrClN4 — CID 45276595

IUPAC[1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine
SMILESNNc1nc2ccccc2n1Cc1ccc(Br)cc1Cl
InChIInChI=1S/C14H12BrClN4/c15-10-6-5-9(11(16)7-10)8-20-13-4-2-1-3-12(13)18-14(20)19-17/h1-7H,8,17H2,(H,18,19)
InChIKeyXDIYHSDVNXHKMX-UHFFFAOYSA-N
MW351.64 g/mol
LogP3.79
Rot. Bonds3

About [1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine

[1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine (PubChem CID 45276595) has the molecular formula C14H12BrClN4 and a molecular weight of 351.64 g/mol. Its IUPAC name is [1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine.

Molecular Properties

Compound Name[1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine
PubChem CID45276595
Molecular FormulaC14H12BrClN4
Molecular Weight351.64 g/mol
Exact Mass349.99
IUPAC Name[1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine
SMILESNNc1nc2ccccc2n1Cc1ccc(Br)cc1Cl
InChIInChI=1S/C14H12BrClN4/c15-10-6-5-9(11(16)7-10)8-20-13-4-2-1-3-12(13)18-14(20)19-17/h1-7H,8,17H2,(H,18,19)
InChIKeyXDIYHSDVNXHKMX-UHFFFAOYSA-N
XLogP3.79
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine
CID 71648982
2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51142216
2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine
CID 71649092
4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649354
2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile
CID 83416613
3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008080
2-(2-hydrazinylbenzimidazol-1-yl)acetic acid
CID 2773162
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
1-[(4-bromo-2-fluorophenyl)methyl]-2-butylbenzimidazole
CID 19806376

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine?
The IUPAC name of [1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine (CID 45276595) is [1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine.
What is the SMILES notation for [1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine?
The canonical SMILES for [1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine is NNc1nc2ccccc2n1Cc1ccc(Br)cc1Cl.
What is the InChIKey of [1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine?
The InChIKey is XDIYHSDVNXHKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4/c15-10-6-5-9(11(16)7-10)8-20-13-4-2-1-3-12(13)18-14(20)19-17/h1-7H,8,17H2,(H,18,19).
What are the key properties of [1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine?
[1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine has a molecular weight of 351.64 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine is sourced from PubChem (CID 45276595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).