4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide

C20H20N4O3S — CID 42089104

IUPAC4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide
SMILESC=CCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C20H20N4O3S/c1-3-12-24-17-7-5-4-6-16(17)21-20(24)28-13-18(25)22-23-19(26)14-8-10-15(27-2)11-9-14/h3-11H,1,12-13H2,2H3,(H,22,25)(H,23,26)
InChIKeyBHUUNOPOZCXDTF-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.78
Rot. Bonds7

About 4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide

4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide (PubChem CID 42089104) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide
PubChem CID42089104
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide
SMILESC=CCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C20H20N4O3S/c1-3-12-24-17-7-5-4-6-16(17)21-20(24)28-13-18(25)22-23-19(26)14-8-10-15(27-2)11-9-14/h3-11H,1,12-13H2,2H3,(H,22,25)(H,23,26)
InChIKeyBHUUNOPOZCXDTF-UHFFFAOYSA-N
XLogP2.78
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)carbamoyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518067
4-methoxy-N-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]benzamide
CID 16537815
N-(methylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 4828262
N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518005
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-N-prop-2-ynylacetamide
CID 40668415
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154
N-[(1S)-1-phenylethyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 7251190
N-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
CID 8023338
N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347549
2-(2-methylprop-2-enylsulfanyl)-1-prop-2-enylbenzimidazole
CID 46731807
N-(2-bromophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518061
1-[4-[2-hydroxy-3-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropoxy]phenyl]ethanone
CID 51223254

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide (CID 42089104) is 4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide is C=CCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is BHUUNOPOZCXDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-3-12-24-17-7-5-4-6-16(17)21-20(24)28-13-18(25)22-23-19(26)14-8-10-15(27-2)11-9-14/h3-11H,1,12-13H2,2H3,(H,22,25)(H,23,26).
What are the key properties of 4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide?
4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 396.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 42089104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).