3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide

C22H26N4O3 — CID 102604001

IUPAC3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H26N4O3/c1-14(2)16-9-8-15(3)12-19(16)29-13-22(28)26-25-21(27)11-10-20-23-17-6-4-5-7-18(17)24-20/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyFXRZBNGXCPIXAQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.15
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide

3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide (PubChem CID 102604001) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide
PubChem CID102604001
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H26N4O3/c1-14(2)16-9-8-15(3)12-19(16)29-13-22(28)26-25-21(27)11-10-20-23-17-6-4-5-7-18(17)24-20/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyFXRZBNGXCPIXAQ-UHFFFAOYSA-N
XLogP3.15
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 707834
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2673867
ethyl N-[3-(1H-benzimidazol-2-yl)propanoylamino]carbamate
CID 43042112
1-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 5054756
2-(2-chlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 24537782
2-(2-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001550
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927374
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 24641294
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931287
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 18116309

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide (CID 102604001) is 3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide?
The InChIKey is FXRZBNGXCPIXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)16-9-8-15(3)12-19(16)29-13-22(28)26-25-21(27)11-10-20-23-17-6-4-5-7-18(17)24-20/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide?
3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide has a molecular weight of 394.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 102604001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).