3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide

C14H20N4O — CID 79405139

IUPAC3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
SMILESCCc1nc2ccccc2n1C(C)C(C)C(=O)NN
InChIInChI=1S/C14H20N4O/c1-4-13-16-11-7-5-6-8-12(11)18(13)10(3)9(2)14(19)17-15/h5-10H,4,15H2,1-3H3,(H,17,19)
InChIKeyMVZUGKXZEROLDC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.79
Rot. Bonds4

About 3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide

3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide (PubChem CID 79405139) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
PubChem CID79405139
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
SMILESCCc1nc2ccccc2n1C(C)C(C)C(=O)NN
InChIInChI=1S/C14H20N4O/c1-4-13-16-11-7-5-6-8-12(11)18(13)10(3)9(2)14(19)17-15/h5-10H,4,15H2,1-3H3,(H,17,19)
InChIKeyMVZUGKXZEROLDC-UHFFFAOYSA-N
XLogP1.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
methyl 3-(2-ethylbenzimidazol-1-yl)butanoate
CID 63106169
ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
CID 83038109
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
1-but-3-en-2-yl-2-ethylbenzimidazole
CID 116622499
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methoxypropanehydrazide
CID 103229872
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-butan-2-ylpropanamide
CID 63637877
N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 63105068
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63636686
2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
CID 82024672
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide (CID 79405139) is 3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide is CCc1nc2ccccc2n1C(C)C(C)C(=O)NN.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide?
The InChIKey is MVZUGKXZEROLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-13-16-11-7-5-6-8-12(11)18(13)10(3)9(2)14(19)17-15/h5-10H,4,15H2,1-3H3,(H,17,19).
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide?
3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide has a molecular weight of 260.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide is sourced from PubChem (CID 79405139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).