2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide

C19H22ClN3OS — CID 33459211

IUPAC2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide
SMILESCc1c(Cl)cccc1-n1ccnc1SCC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C19H22ClN3OS/c1-12-15(20)3-2-4-16(12)23-10-9-21-19(23)25-11-17(24)22-18(13-5-6-13)14-7-8-14/h2-4,9-10,13-14,18H,5-8,11H2,1H3,(H,22,24)
InChIKeyVURVYLBHXYJDJK-UHFFFAOYSA-N
MW375.93 g/mol
LogP4.23
Rot. Bonds7

About 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide

2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide (PubChem CID 33459211) has the molecular formula C19H22ClN3OS and a molecular weight of 375.93 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide
PubChem CID33459211
Molecular FormulaC19H22ClN3OS
Molecular Weight375.93 g/mol
Exact Mass375.12
IUPAC Name2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide
SMILESCc1c(Cl)cccc1-n1ccnc1SCC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C19H22ClN3OS/c1-12-15(20)3-2-4-16(12)23-10-9-21-19(23)25-11-17(24)22-18(13-5-6-13)14-7-8-14/h2-4,9-10,13-14,18H,5-8,11H2,1H3,(H,22,24)
InChIKeyVURVYLBHXYJDJK-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide
CID 9180118
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41250637
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
CID 24530947
N-(dicyclopropylmethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 32674724
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
CID 97002264
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
N-(4-acetamido-2-chlorophenyl)-2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 86885181
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
CID 47024740
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56523602
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide (CID 33459211) is 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide is Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide?
The InChIKey is VURVYLBHXYJDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3OS/c1-12-15(20)3-2-4-16(12)23-10-9-21-19(23)25-11-17(24)22-18(13-5-6-13)14-7-8-14/h2-4,9-10,13-14,18H,5-8,11H2,1H3,(H,22,24).
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide?
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide has a molecular weight of 375.93 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide is sourced from PubChem (CID 33459211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).