N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C23H26N4O2 — CID 55475580

IUPACN-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C23H26N4O2/c1-17(2)21(26-22(28)18-8-4-3-5-9-18)23(29)25-14-19-10-6-7-11-20(19)15-27-13-12-24-16-27/h3-13,16-17,21H,14-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyKGNDGCQOCRXWFA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.00
Rot. Bonds8

About N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 55475580) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID55475580
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C23H26N4O2/c1-17(2)21(26-22(28)18-8-4-3-5-9-18)23(29)25-14-19-10-6-7-11-20(19)15-27-13-12-24-16-27/h3-13,16-17,21H,14-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyKGNDGCQOCRXWFA-UHFFFAOYSA-N
XLogP3.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 55475406
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55645960
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51155778
N-[(2S)-3-methyl-1-[[4-[[[(2R)-3-methyl-2-(pyridine-4-carbonylamino)butanoyl]amino]methyl]phenyl]methylamino]-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 90148624
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55813579
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 18774967
N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 130272140
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 55475580) is N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccccc1Cn1ccnc1.
What is the InChIKey of N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is KGNDGCQOCRXWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17(2)21(26-22(28)18-8-4-3-5-9-18)23(29)25-14-19-10-6-7-11-20(19)15-27-13-12-24-16-27/h3-13,16-17,21H,14-15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55475580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).