1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide

C19H25N5O2 — CID 167780313

IUPAC1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide
SMILESCCn1cnc(C(=O)NCCN(C)C2CCc3ccccc3NC2=O)c1
InChIInChI=1S/C19H25N5O2/c1-3-24-12-16(21-13-24)18(25)20-10-11-23(2)17-9-8-14-6-4-5-7-15(14)22-19(17)26/h4-7,12-13,17H,3,8-11H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyPWHKERXTQHHGIV-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.52
Rot. Bonds6

About 1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide

1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide (PubChem CID 167780313) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide
PubChem CID167780313
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide
SMILESCCn1cnc(C(=O)NCCN(C)C2CCc3ccccc3NC2=O)c1
InChIInChI=1S/C19H25N5O2/c1-3-24-12-16(21-13-24)18(25)20-10-11-23(2)17-9-8-14-6-4-5-7-15(14)22-19(17)26/h4-7,12-13,17H,3,8-11H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyPWHKERXTQHHGIV-UHFFFAOYSA-N
XLogP1.52
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide (CID 167780313) is 1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide is CCn1cnc(C(=O)NCCN(C)C2CCc3ccccc3NC2=O)c1.
What is the InChIKey of 1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide?
The InChIKey is PWHKERXTQHHGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-24-12-16(21-13-24)18(25)20-10-11-23(2)17-9-8-14-6-4-5-7-15(14)22-19(17)26/h4-7,12-13,17H,3,8-11H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of 1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide?
1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 167780313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).