N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide

C15H19N3O — CID 93490070

IUPACN-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H19N3O/c1-3-12(2)17-15(19)14-6-4-13(5-7-14)10-18-9-8-16-11-18/h4-9,11-12H,3,10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyNQDVUJBTPDKCSN-GFCCVEGCSA-N
MW257.34 g/mol
LogP2.46
Rot. Bonds5

About N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide

N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 93490070) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID93490070
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H19N3O/c1-3-12(2)17-15(19)14-6-4-13(5-7-14)10-18-9-8-16-11-18/h4-9,11-12H,3,10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyNQDVUJBTPDKCSN-GFCCVEGCSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101685
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020364
N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 100546059
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
1-butan-2-yl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 75532376

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide (CID 93490070) is N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide is CC[C@@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is NQDVUJBTPDKCSN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-12(2)17-15(19)14-6-4-13(5-7-14)10-18-9-8-16-11-18/h4-9,11-12H,3,10H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide?
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 93490070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).