N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide

C23H26N4O2 — CID 166316191

IUPACN-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
SMILESO=C(Nc1ccc(CN2CCC(CO)CC2)cc1)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C23H26N4O2/c28-16-18-9-13-27(14-10-18)15-17-1-7-21(8-2-17)26-23(29)20-5-3-19(4-6-20)22-24-11-12-25-22/h1-8,11-12,18,28H,9-10,13-16H2,(H,24,25)(H,26,29)
InChIKeyBQVCOHRIGCUSDQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.53
Rot. Bonds6

About N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide

N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide (PubChem CID 166316191) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
PubChem CID166316191
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
SMILESO=C(Nc1ccc(CN2CCC(CO)CC2)cc1)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C23H26N4O2/c28-16-18-9-13-27(14-10-18)15-17-1-7-21(8-2-17)26-23(29)20-5-3-19(4-6-20)22-24-11-12-25-22/h1-8,11-12,18,28H,9-10,13-16H2,(H,24,25)(H,26,29)
InChIKeyBQVCOHRIGCUSDQ-UHFFFAOYSA-N
XLogP3.53
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60613178
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23999606
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 43246141
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309
N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide
CID 110471590
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide?
The IUPAC name of N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide (CID 166316191) is N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide is O=C(Nc1ccc(CN2CCC(CO)CC2)cc1)c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide?
The InChIKey is BQVCOHRIGCUSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-16-18-9-13-27(14-10-18)15-17-1-7-21(8-2-17)26-23(29)20-5-3-19(4-6-20)22-24-11-12-25-22/h1-8,11-12,18,28H,9-10,13-16H2,(H,24,25)(H,26,29).
What are the key properties of N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide?
N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 166316191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).