3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one

C22H20N4O — CID 162010167

IUPAC3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
SMILESO=C1Cc2ccccc2C(c2ccccc2)=NC1Nc1ncc(C2CC2)[nH]1
InChIInChI=1S/C22H20N4O/c27-19-12-16-8-4-5-9-17(16)20(15-6-2-1-3-7-15)25-21(19)26-22-23-13-18(24-22)14-10-11-14/h1-9,13-14,21H,10-12H2,(H2,23,24,26)
InChIKeyYTIZXYDAIBFTGJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.69
Rot. Bonds4

About 3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one

3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one (PubChem CID 162010167) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
PubChem CID162010167
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
SMILESO=C1Cc2ccccc2C(c2ccccc2)=NC1Nc1ncc(C2CC2)[nH]1
InChIInChI=1S/C22H20N4O/c27-19-12-16-8-4-5-9-17(16)20(15-6-2-1-3-7-15)25-21(19)26-22-23-13-18(24-22)14-10-11-14/h1-9,13-14,21H,10-12H2,(H2,23,24,26)
InChIKeyYTIZXYDAIBFTGJ-UHFFFAOYSA-N
XLogP3.69
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]-3,5-dihydro-2-benzazepin-4-one
CID 159400397
1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one
CID 153008370
(3S)-1-phenyl-3-[(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)amino]-3,5-dihydro-2-benzazepin-4-one
CID 158738406
(3S)-3-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 160935830
3-[[5-(2-oxo-1H-pyridin-4-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 147594854
(3S)-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 157260100
6-(2-cyclopropylpyrimidin-5-yl)-2-methyl-5-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
CID 161049251
1-phenyl-3-[[5-(2-pyrazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-3,5-dihydro-2-benzazepin-4-one
CID 158249096
3-[[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 148903746
(3S)-3-[[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 160915471
1-phenyl-3-[[5-(1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]-3,5-dihydro-2-benzazepin-4-one
CID 153029065
(3S)-3-[[5-[3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 158802601

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The IUPAC name of 3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one (CID 162010167) is 3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one.
What is the SMILES notation for 3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The canonical SMILES for 3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one is O=C1Cc2ccccc2C(c2ccccc2)=NC1Nc1ncc(C2CC2)[nH]1.
What is the InChIKey of 3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The InChIKey is YTIZXYDAIBFTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-19-12-16-8-4-5-9-17(16)20(15-6-2-1-3-7-15)25-21(19)26-22-23-13-18(24-22)14-10-11-14/h1-9,13-14,21H,10-12H2,(H2,23,24,26).
What are the key properties of 3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one has a molecular weight of 356.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1H-imidazol-2-yl)amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 162010167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).