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

C24H28N4O2 — CID 155947569

IUPAC3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCCCC2)cc1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C24H28N4O2/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)
InChIKeyXLZQKDNFGFOCIC-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.05
Rot. Bonds8

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

3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide (PubChem CID 155947569) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
PubChem CID155947569
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCCCC2)cc1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C24H28N4O2/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)
InChIKeyXLZQKDNFGFOCIC-UHFFFAOYSA-N
XLogP4.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]benzamide
CID 155967280
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
3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 4765536
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 90214164
N'-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]oxamide
CID 155950924
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride
CID 90214167
N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 166233055

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide (CID 155947569) is 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide is O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
The InChIKey is XLZQKDNFGFOCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/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-ylethoxy)phenyl]benzamide?
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.05, 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-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 155947569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).