2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

C12H15N5O — CID 64516996

IUPAC2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccccc1NN
InChIInChI=1S/C12H15N5O/c1-17(8-11-14-6-7-15-11)12(18)9-4-2-3-5-10(9)16-13/h2-7,16H,8,13H2,1H3,(H,14,15)
InChIKeyDLAMEDPYFSULHE-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.97
Rot. Bonds4

About 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide (PubChem CID 64516996) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
PubChem CID64516996
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccccc1NN
InChIInChI=1S/C12H15N5O/c1-17(8-11-14-6-7-15-11)12(18)9-4-2-3-5-10(9)16-13/h2-7,16H,8,13H2,1H3,(H,14,15)
InChIKeyDLAMEDPYFSULHE-UHFFFAOYSA-N
XLogP0.97
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
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

N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115549162
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 64519698
3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 64516802
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070360
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
N-(1H-imidazol-2-ylmethyl)-N-methylquinoline-2-carboxamide
CID 63930575

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide (CID 64516996) is 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide is CN(Cc1ncc[nH]1)C(=O)c1ccccc1NN.
What is the InChIKey of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The InChIKey is DLAMEDPYFSULHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17(8-11-14-6-7-15-11)12(18)9-4-2-3-5-10(9)16-13/h2-7,16H,8,13H2,1H3,(H,14,15).
What are the key properties of 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide has a molecular weight of 245.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 64516996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).