N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide

C23H26N4O2 — CID 93492375

IUPACN-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C23H26N4O2/c1-4-16(2)25-23(29)20-7-5-6-8-21(20)26-22(28)19-11-9-18(10-12-19)15-27-14-13-24-17(27)3/h5-14,16H,4,15H2,1-3H3,(H,25,29)(H,26,28)/t16-/m1/s1
InChIKeyHTTKIBFQVAGCNN-MRXNPFEDSA-N
MW390.49 g/mol
LogP4.02
Rot. Bonds7

About N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide

N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide (PubChem CID 93492375) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
PubChem CID93492375
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C23H26N4O2/c1-4-16(2)25-23(29)20-7-5-6-8-21(20)26-22(28)19-11-9-18(10-12-19)15-27-14-13-24-17(27)3/h5-14,16H,4,15H2,1-3H3,(H,25,29)(H,26,28)/t16-/m1/s1
InChIKeyHTTKIBFQVAGCNN-MRXNPFEDSA-N
XLogP4.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
N-[2-(azepane-1-carbonyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925512
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
N-butan-2-yl-2-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzamide
CID 3259740
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide
CID 133220620
N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 9172934
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide (CID 93492375) is N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide is CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide?
The InChIKey is HTTKIBFQVAGCNN-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-16(2)25-23(29)20-7-5-6-8-21(20)26-22(28)19-11-9-18(10-12-19)15-27-14-13-24-17(27)3/h5-14,16H,4,15H2,1-3H3,(H,25,29)(H,26,28)/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide?
N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide has a molecular weight of 390.49 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 93492375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).