N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide

C12H16N4O — CID 116847070

IUPACN'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
SMILESCNNC(=O)C(C)c1ccc2c(c1)ncn2C
InChIInChI=1S/C12H16N4O/c1-8(12(17)15-13-2)9-4-5-11-10(6-9)14-7-16(11)3/h4-8,13H,1-3H3,(H,15,17)
InChIKeyBTFLFIDHNCOUAS-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.93
Rot. Bonds3

About N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide

N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide (PubChem CID 116847070) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide.

Molecular Properties

Compound NameN'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
PubChem CID116847070
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
SMILESCNNC(=O)C(C)c1ccc2c(c1)ncn2C
InChIInChI=1S/C12H16N4O/c1-8(12(17)15-13-2)9-4-5-11-10(6-9)14-7-16(11)3/h4-8,13H,1-3H3,(H,15,17)
InChIKeyBTFLFIDHNCOUAS-UHFFFAOYSA-N
XLogP0.93
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399
2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
CID 116954228
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116964360
(3R)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 95997414
methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate
CID 116910227
3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 82493892
4-hydroxy-4-(1-methylbenzimidazol-5-yl)butanoic acid
CID 82347089
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
CID 83530521

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide?
The IUPAC name of N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide (CID 116847070) is N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide.
What is the SMILES notation for N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide?
The canonical SMILES for N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide is CNNC(=O)C(C)c1ccc2c(c1)ncn2C.
What is the InChIKey of N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide?
The InChIKey is BTFLFIDHNCOUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(12(17)15-13-2)9-4-5-11-10(6-9)14-7-16(11)3/h4-8,13H,1-3H3,(H,15,17).
What are the key properties of N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide?
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide has a molecular weight of 232.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide is sourced from PubChem (CID 116847070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).