N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide

C22H23N3O — CID 74232716

IUPACN-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide
SMILESO=C(c1ccccc1-c1ncc[nH]1)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C22H23N3O/c26-22(20-12-5-4-11-19(20)21-23-13-14-24-21)25(16-18-9-6-10-18)15-17-7-2-1-3-8-17/h1-5,7-8,11-14,18H,6,9-10,15-16H2,(H,23,24)
InChIKeyLZOXWQLTJXJOBE-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.52
Rot. Bonds6

About N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide

N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide (PubChem CID 74232716) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide
PubChem CID74232716
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide
SMILESO=C(c1ccccc1-c1ncc[nH]1)N(Cc1ccccc1)CC1CCC1
InChIInChI=1S/C22H23N3O/c26-22(20-12-5-4-11-19(20)21-23-13-14-24-21)25(16-18-9-6-10-18)15-17-7-2-1-3-8-17/h1-5,7-8,11-14,18H,6,9-10,15-16H2,(H,23,24)
InChIKeyLZOXWQLTJXJOBE-UHFFFAOYSA-N
XLogP4.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685289
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
bis[2-(1H-imidazol-2-yl)phenyl]methanone
CID 57133504
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 163308493
2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975549
2-(1H-imidazol-2-yl)benzamide;hydrate
CID 140783933
2-(1H-imidazol-2-yl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]benzamide
CID 56919155
N-benzyl-2-chloro-N-(cyclobutylmethyl)-4-nitrobenzamide
CID 60584220
[(1S,2S,4R)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 164693903
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide?
The IUPAC name of N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide (CID 74232716) is N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide is O=C(c1ccccc1-c1ncc[nH]1)N(Cc1ccccc1)CC1CCC1.
What is the InChIKey of N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide?
The InChIKey is LZOXWQLTJXJOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(20-12-5-4-11-19(20)21-23-13-14-24-21)25(16-18-9-6-10-18)15-17-7-2-1-3-8-17/h1-5,7-8,11-14,18H,6,9-10,15-16H2,(H,23,24).
What are the key properties of N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide?
N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide has a molecular weight of 345.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclobutylmethyl)-2-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 74232716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).