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

C23H26N4O — CID 155951666

IUPACN-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
SMILESO=C(Nc1cccc(Cn2ccnc2)c1)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C23H26N4O/c28-23(21-8-4-6-19(14-21)16-26-11-2-1-3-12-26)25-22-9-5-7-20(15-22)17-27-13-10-24-18-27/h4-10,13-15,18H,1-3,11-12,16-17H2,(H,25,28)
InChIKeyVXHYOQVJIGMRLS-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.17
Rot. Bonds6

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

N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide (PubChem CID 155951666) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
PubChem CID155951666
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
SMILESO=C(Nc1cccc(Cn2ccnc2)c1)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C23H26N4O/c28-23(21-8-4-6-19(14-21)16-26-11-2-1-3-12-26)25-22-9-5-7-20(15-22)17-27-13-10-24-18-27/h4-10,13-15,18H,1-3,11-12,16-17H2,(H,25,28)
InChIKeyVXHYOQVJIGMRLS-UHFFFAOYSA-N
XLogP4.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3-(imidazol-1-ylmethyl)benzamide
CID 155945255
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
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-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide (CID 155951666) is N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide is O=C(Nc1cccc(Cn2ccnc2)c1)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide?
The InChIKey is VXHYOQVJIGMRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(21-8-4-6-19(14-21)16-26-11-2-1-3-12-26)25-22-9-5-7-20(15-22)17-27-13-10-24-18-27/h4-10,13-15,18H,1-3,11-12,16-17H2,(H,25,28).
What are the key properties of N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide?
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide has a molecular weight of 374.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 155951666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).