N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide

C13H18N4O2 — CID 116846652

IUPACN'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
SMILESCNNC(=O)CCCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H18N4O2/c1-14-17-12(18)5-3-2-4-9-6-7-10-11(8-9)16-13(19)15-10/h6-8,14H,2-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyXVJDXZXQXIWZRD-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.82
Rot. Bonds6

About N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide

N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide (PubChem CID 116846652) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide.

Molecular Properties

Compound NameN'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
PubChem CID116846652
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
SMILESCNNC(=O)CCCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H18N4O2/c1-14-17-12(18)5-3-2-4-9-6-7-10-11(8-9)16-13(19)15-10/h6-8,14H,2-5H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyXVJDXZXQXIWZRD-UHFFFAOYSA-N
XLogP0.82
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]propanoic acid
CID 119350958
5-(3,4-difluorophenyl)-N'-methylpentanehydrazide
CID 116846626
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
5-(4-bromophenyl)-N'-methylpentanehydrazide
CID 116846599
N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride
CID 119642796
5-(4-chlorobutyl)-1,3-dihydrobenzimidazol-2-one
CID 87983574
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 111663080
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
CID 166380294
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119513434

Frequently Asked Questions

What is the IUPAC name of N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide?
The IUPAC name of N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide (CID 116846652) is N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide.
What is the SMILES notation for N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide?
The canonical SMILES for N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide is CNNC(=O)CCCCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide?
The InChIKey is XVJDXZXQXIWZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-17-12(18)5-3-2-4-9-6-7-10-11(8-9)16-13(19)15-10/h6-8,14H,2-5H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide?
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide has a molecular weight of 262.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide is sourced from PubChem (CID 116846652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).