(7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide

C15H16N4O3 — CID 95131410

IUPAC(7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide
SMILESCOc1ccccc1[C@@H]1CNC(=O)c2nc(C(N)=O)[nH]c2C1
InChIInChI=1S/C15H16N4O3/c1-22-11-5-3-2-4-9(11)8-6-10-12(15(21)17-7-8)19-14(18-10)13(16)20/h2-5,8H,6-7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)/t8-/m0/s1
InChIKeyYAIJABBSNQQXNR-QMMMGPOBSA-N
MW300.32 g/mol
LogP0.59
Rot. Bonds3

About (7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide

(7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide (PubChem CID 95131410) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide.

Molecular Properties

Compound Name(7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide
PubChem CID95131410
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide
SMILESCOc1ccccc1[C@@H]1CNC(=O)c2nc(C(N)=O)[nH]c2C1
InChIInChI=1S/C15H16N4O3/c1-22-11-5-3-2-4-9(11)8-6-10-12(15(21)17-7-8)19-14(18-10)13(16)20/h2-5,8H,6-7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)/t8-/m0/s1
InChIKeyYAIJABBSNQQXNR-QMMMGPOBSA-N
XLogP0.59
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide?
The IUPAC name of (7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide (CID 95131410) is (7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide.
What is the SMILES notation for (7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide?
The canonical SMILES for (7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide is COc1ccccc1[C@@H]1CNC(=O)c2nc(C(N)=O)[nH]c2C1.
What is the InChIKey of (7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide?
The InChIKey is YAIJABBSNQQXNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-22-11-5-3-2-4-9(11)8-6-10-12(15(21)17-7-8)19-14(18-10)13(16)20/h2-5,8H,6-7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)/t8-/m0/s1.
What are the key properties of (7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide?
(7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide is sourced from PubChem (CID 95131410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).