N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide

C18H17ClN4OS — CID 7005933

IUPACN'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide
SMILESC=C(NNC(=O)CSc1nc2ccccc2n1C)c1ccccc1Cl
InChIInChI=1S/C18H17ClN4OS/c1-12(13-7-3-4-8-14(13)19)21-22-17(24)11-25-18-20-15-9-5-6-10-16(15)23(18)2/h3-10,21H,1,11H2,2H3,(H,22,24)
InChIKeyGYOMHGUEWNAZMA-UHFFFAOYSA-N
MW372.88 g/mol
LogP3.61
Rot. Bonds6

About N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide

N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide (PubChem CID 7005933) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide
PubChem CID7005933
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC NameN'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide
SMILESC=C(NNC(=O)CSc1nc2ccccc2n1C)c1ccccc1Cl
InChIInChI=1S/C18H17ClN4OS/c1-12(13-7-3-4-8-14(13)19)21-22-17(24)11-25-18-20-15-9-5-6-10-16(15)23(18)2/h3-10,21H,1,11H2,2H3,(H,22,24)
InChIKeyGYOMHGUEWNAZMA-UHFFFAOYSA-N
XLogP3.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 3819255
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
N-[(4-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354657
N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
CID 166196952
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5450385
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17424889
N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4320150
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N'-(1-thiophen-2-ylethenyl)acetohydrazide
CID 5110690
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 27929676

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide?
The IUPAC name of N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide (CID 7005933) is N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide?
The canonical SMILES for N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide is C=C(NNC(=O)CSc1nc2ccccc2n1C)c1ccccc1Cl.
What is the InChIKey of N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide?
The InChIKey is GYOMHGUEWNAZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-12(13-7-3-4-8-14(13)19)21-22-17(24)11-25-18-20-15-9-5-6-10-16(15)23(18)2/h3-10,21H,1,11H2,2H3,(H,22,24).
What are the key properties of N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide?
N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide has a molecular weight of 372.88 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-chlorophenyl)ethenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 7005933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).