3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide

C24H28N4OS — CID 155967280

IUPAC3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccc(SCCN2CCCCC2)cc1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C24H28N4OS/c29-24(21-6-4-5-20(17-21)18-28-14-11-25-19-28)26-22-7-9-23(10-8-22)30-16-15-27-12-2-1-3-13-27/h4-11,14,17,19H,1-3,12-13,15-16,18H2,(H,26,29)
InChIKeyCINLPCRZDMKJTG-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.76
Rot. Bonds8

About 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide

3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide (PubChem CID 155967280) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide
PubChem CID155967280
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccc(SCCN2CCCCC2)cc1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C24H28N4OS/c29-24(21-6-4-5-20(17-21)18-28-14-11-25-19-28)26-22-7-9-23(10-8-22)30-16-15-27-12-2-1-3-13-27/h4-11,14,17,19H,1-3,12-13,15-16,18H2,(H,26,29)
InChIKeyCINLPCRZDMKJTG-UHFFFAOYSA-N
XLogP4.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 155947569
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 155945255
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
3-(imidazol-1-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 155945227
3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide
CID 155946258
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-N'-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
CID 155945405
N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
CID 155950924
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 90214164
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride
CID 90214167
3-(imidazol-1-ylmethyl)benzoate
CID 7219979

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide (CID 155967280) is 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide is O=C(Nc1ccc(SCCN2CCCCC2)cc1)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide?
The InChIKey is CINLPCRZDMKJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c29-24(21-6-4-5-20(17-21)18-28-14-11-25-19-28)26-22-7-9-23(10-8-22)30-16-15-27-12-2-1-3-13-27/h4-11,14,17,19H,1-3,12-13,15-16,18H2,(H,26,29).
What are the key properties of 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide?
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide has a molecular weight of 420.58 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 155967280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).