2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide

C14H17ClN4OS — CID 9180118

IUPAC2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide
SMILESCc1c(Cl)cccc1-n1ccnc1SCC(=O)NN(C)C
InChIInChI=1S/C14H17ClN4OS/c1-10-11(15)5-4-6-12(10)19-8-7-16-14(19)21-9-13(20)17-18(2)3/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyDDPATCYMHFKQFI-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide

2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide (PubChem CID 9180118) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide
PubChem CID9180118
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide
SMILESCc1c(Cl)cccc1-n1ccnc1SCC(=O)NN(C)C
InChIInChI=1S/C14H17ClN4OS/c1-10-11(15)5-4-6-12(10)19-8-7-16-14(19)21-9-13(20)17-18(2)3/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyDDPATCYMHFKQFI-UHFFFAOYSA-N
XLogP2.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
CID 24530947
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CID 33459211
N-(4-acetamido-2-chlorophenyl)-2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 86885181
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41250637
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
CID 97002264
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(cyanomethyl)-N-phenylacetamide
CID 46812354
N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
CID 47024740
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111463207
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 40685052

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide (CID 9180118) is 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide is Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NN(C)C.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide?
The InChIKey is DDPATCYMHFKQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-10-11(15)5-4-6-12(10)19-8-7-16-14(19)21-9-13(20)17-18(2)3/h4-8H,9H2,1-3H3,(H,17,20).
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide?
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide has a molecular weight of 324.84 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 9180118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).