N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide

C19H25N3OS — CID 43922951

IUPACN-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NCCSC1CCCCC1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H25N3OS/c23-19(21-11-13-24-18-4-2-1-3-5-18)17-8-6-16(7-9-17)14-22-12-10-20-15-22/h6-10,12,15,18H,1-5,11,13-14H2,(H,21,23)
InChIKeyXUPMZHLXYDVDTI-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.73
Rot. Bonds7

About N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide

N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 43922951) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID43922951
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NCCSC1CCCCC1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H25N3OS/c23-19(21-11-13-24-18-4-2-1-3-5-18)17-8-6-16(7-9-17)14-22-12-10-20-15-22/h6-10,12,15,18H,1-5,11,13-14H2,(H,21,23)
InChIKeyXUPMZHLXYDVDTI-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 43922691
4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119559215
4-(imidazol-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93491347
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
CID 119612316
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740
N-(2-cyclohexylsulfanylethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92676402
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide (CID 43922951) is N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide is O=C(NCCSC1CCCCC1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is XUPMZHLXYDVDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c23-19(21-11-13-24-18-4-2-1-3-5-18)17-8-6-16(7-9-17)14-22-12-10-20-15-22/h6-10,12,15,18H,1-5,11,13-14H2,(H,21,23).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide?
N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 343.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 43922951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).