N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide

C13H18N4O — CID 116846538

IUPACN'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
SMILESCNNC(=O)CCCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-9-15-11-7-6-10(8-12(11)16-9)4-3-5-13(18)17-14-2/h6-8,14H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHEDLNGKVYBPLCD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.44
Rot. Bonds5

About N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide

N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide (PubChem CID 116846538) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide.

Molecular Properties

Compound NameN'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
PubChem CID116846538
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
SMILESCNNC(=O)CCCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-9-15-11-7-6-10(8-12(11)16-9)4-3-5-13(18)17-14-2/h6-8,14H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHEDLNGKVYBPLCD-UHFFFAOYSA-N
XLogP1.44
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate
CID 116851631
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
CID 116849707
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide?
The IUPAC name of N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide (CID 116846538) is N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide.
What is the SMILES notation for N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide?
The canonical SMILES for N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide is CNNC(=O)CCCc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide?
The InChIKey is HEDLNGKVYBPLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-15-11-7-6-10(8-12(11)16-9)4-3-5-13(18)17-14-2/h6-8,14H,3-5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide?
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide has a molecular weight of 246.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide is sourced from PubChem (CID 116846538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).