3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide

C25H30N4O — CID 155946258

IUPAC3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide
SMILESCC1CCN(CCc2cccc(NC(=O)c3cccc(Cn4ccnc4)c3)c2)CC1
InChIInChI=1S/C25H30N4O/c1-20-8-12-28(13-9-20)14-10-21-4-3-7-24(17-21)27-25(30)23-6-2-5-22(16-23)18-29-15-11-26-19-29/h2-7,11,15-17,19-20H,8-10,12-14,18H2,1H3,(H,27,30)
InChIKeyUIMTVJQDNFOSLC-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.46
Rot. Bonds7

About 3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide

3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide (PubChem CID 155946258) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide
PubChem CID155946258
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide
SMILESCC1CCN(CCc2cccc(NC(=O)c3cccc(Cn4ccnc4)c3)c2)CC1
InChIInChI=1S/C25H30N4O/c1-20-8-12-28(13-9-20)14-10-21-4-3-7-24(17-21)27-25(30)23-6-2-5-22(16-23)18-29-15-11-26-19-29/h2-7,11,15-17,19-20H,8-10,12-14,18H2,1H3,(H,27,30)
InChIKeyUIMTVJQDNFOSLC-UHFFFAOYSA-N
XLogP4.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
3-(imidazol-1-ylmethyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 155947569
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]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
3-(imidazol-1-ylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 155945227
(1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
CID 155959241
3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 122137166
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 90214164
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(imidazol-1-ylmethyl)benzamide;hydrochloride
CID 90214167

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide (CID 155946258) is 3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide is CC1CCN(CCc2cccc(NC(=O)c3cccc(Cn4ccnc4)c3)c2)CC1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide?
The InChIKey is UIMTVJQDNFOSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-20-8-12-28(13-9-20)14-10-21-4-3-7-24(17-21)27-25(30)23-6-2-5-22(16-23)18-29-15-11-26-19-29/h2-7,11,15-17,19-20H,8-10,12-14,18H2,1H3,(H,27,30).
What are the key properties of 3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide?
3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide has a molecular weight of 402.54 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 155946258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).